UCSF

ZINC34740980

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 15 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) 1.03 3.75 -7.1 1 4 0 45 203.245 0
Mid Mid (pH 6-8) 1.03 4.1 -36.26 2 4 1 46 204.253 0

Activity (Go SEA)

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