UCSF

ZINC44650614

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) -0.08 4.68 -90.69 3 5 2 45 272.437 7
Hi High (pH 8-9.5) -0.08 3.24 -38.28 2 5 1 40 271.429 7
Hi High (pH 8-9.5) -0.08 3.31 -37.15 2 5 1 40 271.429 7
Mid Mid (pH 6-8) -0.08 4.61 -82.68 3 5 2 45 272.437 7

Activity (Go SEA)

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