UCSF

ZINC09722716

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2007 34 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) 5.96 9.68 -16.2 1 7 0 90 495.626 7
Mid Mid (pH 6-8) 5.96 8.62 -57.51 0 7 -1 92 494.618 7
Mid Mid (pH 6-8) 5.96 9.71 -62.89 0 7 -1 92 494.618 7

Activity (Go SEA)

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