UCSF

ZINC42556123

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 20 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) 2.36 5.95 -117.98 4 4 2 51 286.46 6
Hi High (pH 8-9.5) 2.36 4.11 -41.22 3 4 1 49 285.452 6
Hi High (pH 8-9.5) 2.36 5.65 -30.84 3 4 1 49 285.452 6

Activity (Go SEA)

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