UCSF

ZINC33895029

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 22 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) 3.72 7.7 -5.26 0 3 0 22 297.398 6
Mid Mid (pH 6-8) 3.72 9.96 -38.85 1 3 1 23 298.406 6

Activity (Go SEA)

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