UCSF

ZINC32159553

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 3.96 10.29 -43.98 2 2 1 25 296.434 3
Mid Mid (pH 6-8) 3.96 8.36 -5.13 1 2 0 23 295.426 3

Activity (Go SEA)

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