UCSF

ZINC32149781

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 0.76 6.28 -62.34 3 5 1 71 292.363 3
Hi High (pH 8-9.5) 0.76 5.95 -10.79 2 5 0 69 291.355 3

Activity (Go SEA)

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