UCSF

ZINC57672586

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 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) 2.71 3.98 -43.27 1 7 -1 96 381.405 7
Mid Mid (pH 6-8) 2.71 3.91 -14.45 2 7 0 94 382.413 7

Activity (Go SEA)

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