UCSF

ZINC44726699

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 13 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) -0.76 1.31 -94.44 5 4 2 61 185.271 3
Mid Mid (pH 6-8) -0.76 0.9 -39.26 4 4 1 60 184.263 3

Activity (Go SEA)

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