UCSF

ZINC32086894

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) 3.34 8.34 -43.83 3 3 1 40 325.476 7
Mid Mid (pH 6-8) 3.34 10.63 -107.09 4 3 2 41 326.484 7

Activity (Go SEA)

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