UCSF

ZINC34583623

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 16 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) 2.52 8.48 -46.18 1 2 1 28 213.304 2
Mid Mid (pH 6-8) 2.52 6.26 -5.53 0 2 0 27 212.296 2

Activity (Go SEA)

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