UCSF

ZINC40481104

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 25 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) 1.57 4.94 -44.6 4 6 1 90 346.382 5
Hi High (pH 8-9.5) 1.57 2.74 -14.64 3 6 0 89 345.374 5

Activity (Go SEA)

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