UCSF

ZINC33759919

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 34 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) 5.29 14.72 -10.02 0 4 0 28 472.032 6
Mid Mid (pH 6-8) 5.29 17.06 -48.15 1 4 1 30 473.04 6

Activity (Go SEA)

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