UCSF

ZINC45629911

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) 1.68 6.03 -105.58 4 3 2 41 242.407 8
Mid Mid (pH 6-8) 1.68 6.04 -41.77 3 3 1 44 241.399 8

Activity (Go SEA)

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