UCSF

ZINC51488087

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 21 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) 1.56 6.25 -37.86 2 5 1 51 296.435 11
Mid Mid (pH 6-8) 1.56 6.62 -91.72 3 5 2 52 297.443 11

Activity (Go SEA)

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