UCSF

ZINC45694865

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 0.53 5.85 -61.09 1 6 -1 96 268.289 7
Lo Low (pH 4.5-6) 0.53 4.79 -16.96 2 6 0 93 269.297 7

Activity (Go SEA)

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