UCSF

ZINC40808775

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 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) -0.03 2.52 -86.94 5 5 2 64 272.437 9
Hi High (pH 8-9.5) -0.03 0.14 -47.45 4 5 1 63 271.429 9
Mid Mid (pH 6-8) -0.03 2.41 -90.63 5 5 2 64 272.437 9

Activity (Go SEA)

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