| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2008 | 29 | No |
Popular Name: Latrunculin a Latrunculin a
Find On: PubMed — Wikipedia — Google
CAS Number: 76343-93-6
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.52 | 7.71 | -9.3 | 2 | 6 | 0 | 85 | 421.559 | 1 | ↓ |
| Ref Reference (pH 7) | 3.15 | 4.56 | -10.74 | 2 | 6 | 0 | 88 | 421.559 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | CTK1_SCHPO; CTK2_SCHPO; THS1_VITVI | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80928-1-O | HCT-116 (Colon Carcinoma Cells) (cluster #1 Of 9), Other | Other | 1100 | 0.29 | Functional ≤ 10μM |
| Z81245-6-O | MDA-MB-435 (Breast Carcinoma Cells) (cluster #6 Of 6), Other | Other | 2800 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 1100 | 0.29 | Functional ≤ 10μM |
| Z81245 | Z81245 | MDA-MB-435 (Breast Carcinoma Cells) | 2800 | 0.27 | Functional ≤ 10μM |
