UCSF

ZINC34836376

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 37 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) 6.31 19.15 -113.5 2 5 2 30 507.742 10
Mid Mid (pH 6-8) 6.31 17.23 -36.57 1 5 1 29 506.734 10

Activity (Go SEA)

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