UCSF

ZINC40137403

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 30 No

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) 4.57 8.54 -22.67 2 7 0 93 401.422 6
Ref Reference (pH 7) 4.57 8.71 -16.74 2 7 0 93 401.422 6
Hi High (pH 8-9.5) 4.57 9.55 -68.79 1 7 -1 96 400.414 6
Hi High (pH 8-9.5) 4.57 9.72 -63.84 1 7 -1 96 400.414 6

Activity (Go SEA)

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