UCSF

ZINC32089291

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 24 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) 2.54 7.37 -124.69 4 4 2 45 331.435 5
Mid Mid (pH 6-8) 2.54 4.9 -52.61 3 4 1 43 330.427 5

Activity (Go SEA)

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