UCSF

ZINC11726792

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2008 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) -3.89 -14.34 -104.78 10 12 1 215 382.401 7
Lo Low (pH 4.5-6) -3.89 -14.2 -145.99 11 12 2 216 383.409 7
Lo Low (pH 4.5-6) -3.89 -14.19 -144.55 11 12 2 216 383.409 7

Activity (Go SEA)

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