UCSF

ZINC34602132

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 0.00 1.68 -42.23 4 5 1 83 217.289 5
Mid Mid (pH 6-8) 0.00 1.37 -6.72 3 5 0 81 216.281 5

Activity (Go SEA)

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