UCSF

ZINC32235706

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 34 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) 4.40 10.2 -50.71 0 6 -1 78 477.537 7
Mid Mid (pH 6-8) 4.40 10.12 -16.39 1 6 0 76 478.545 7

Activity (Go SEA)

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