UCSF

ZINC45685626

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 2.53 5.17 -36.66 2 3 1 29 241.399 2
Mid Mid (pH 6-8) 2.53 6.78 -111.54 3 3 2 30 242.407 2

Activity (Go SEA)

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