UCSF

ZINC06311692

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 18 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) 1.43 7.05 -46.48 1 3 1 25 255.288 2
Mid Mid (pH 6-8) 1.43 4.84 -9.67 0 3 0 24 254.28 2

Activity (Go SEA)

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