UCSF

ZINC32089065

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 19 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) 1.59 3.21 -47.12 3 4 1 49 330.246 4
Mid Mid (pH 6-8) 1.59 5.5 -118.62 4 4 2 51 331.254 4

Activity (Go SEA)

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