UCSF

ZINC40587815

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 18 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) 3.16 7.55 -34.67 1 2 1 8 249.422 1
Hi High (pH 8-9.5) 3.16 5.16 -0.94 0 2 0 6 248.414 1
Mid Mid (pH 6-8) 3.16 6.96 -33.65 1 2 1 8 249.422 1

Activity (Go SEA)

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