UCSF

ZINC25420187

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.45 7.91 -46.28 2 6 1 63 354.43 6
Mid Mid (pH 6-8) 2.45 5.38 -12.81 1 6 0 62 353.422 6

Activity (Go SEA)

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