UCSF

ZINC44675781

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 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) 0.60 2.63 -43.13 4 2 1 40 177.271 4
Mid Mid (pH 6-8) 0.60 3.9 -119.96 5 2 2 44 178.279 4
Mid Mid (pH 6-8) 0.60 3.52 -37.96 4 2 1 43 177.271 4

Activity (Go SEA)

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