UCSF

ZINC32150383

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 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) 1.72 3.88 -9.24 2 5 0 59 291.395 5
Mid Mid (pH 6-8) 1.72 6.14 -44.66 3 5 1 60 292.403 5

Activity (Go SEA)

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