UCSF

ZINC00904192

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 25 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) 4.32 -2.05 -9.54 2 5 0 58 357.841 4
Mid Mid (pH 6-8) 4.32 -1.87 -31.87 3 5 1 60 358.849 4

Activity (Go SEA)

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