UCSF

ZINC45630761

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 3.67 8.36 -35.85 2 2 1 20 251.438 5
Mid Mid (pH 6-8) 3.67 9.88 -104.31 3 2 2 21 252.446 5

Activity (Go SEA)

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