UCSF

ZINC44725840

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 19 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) 2.66 8.56 -39.89 2 3 1 29 254.357 3
Mid Mid (pH 6-8) 2.66 9 -86.55 3 3 2 31 255.365 3

Activity (Go SEA)

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