UCSF

ZINC34644468

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 27 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) 5.63 14.69 -40.78 1 3 1 31 404.621 8
Mid Mid (pH 6-8) 5.63 12.53 -6.57 0 3 0 30 403.613 8

Activity (Go SEA)

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