UCSF

ZINC54267025

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.59 2.8 -48.28 3 5 1 72 285.389 7
Hi High (pH 8-9.5) 1.59 1.5 -10.87 2 5 0 67 284.381 7

Activity (Go SEA)

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