UCSF

ZINC32134149

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) 1.54 8.6 -49.68 0 5 -1 74 286.307 6
Lo Low (pH 4.5-6) 1.54 7.48 -10.32 1 5 0 71 287.315 6

Activity (Go SEA)

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