UCSF

ZINC34829646

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 36 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) 4.03 13.88 -49.96 1 6 1 54 504.676 5
Mid Mid (pH 6-8) 4.03 12.17 -14.99 0 6 0 53 503.668 5

Activity (Go SEA)

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