UCSF

ZINC02921281

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 38 Yes

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) 8.89 1.11 -54.54 1 4 -1 68 491.57 6
Mid Mid (pH 6-8) 8.89 1.31 -63.53 2 4 0 65 492.578 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
REST-1-B Telomere Resolvase ResT (cluster #1 Of 2), Bacterial Bacteria 9520 0.18 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
REST_BORBU O50979 Telomere Resolvase ResT, Borbu 9520 0.18 Binding ≤ 10μM

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