UCSF

ZINC40663124

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 23 No

Popular Name: methylspiro[BLAH-BLAH,3'-diaziridine]diol methylspiro[BLAH-BLAH,3'-diaziri…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 0.76 -2.02 -51.29 5 6 1 98 316.381 0 ↓
Hi High (pH 8-9.5) 0.76 -4.27 -8.79 4 6 0 97 315.373 0 ↓
Mid Mid (pH 6-8) 0.76 -1.5 -87.9 6 6 2 93 317.389 0 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.