UCSF

ZINC32125557

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) 1.47 2.78 -51.53 3 4 1 49 279.404 6
Hi High (pH 8-9.5) 1.47 1.29 -6.08 2 4 0 45 278.396 6
Lo Low (pH 4.5-6) 1.47 3.6 -42.01 3 4 1 46 279.404 6

Activity (Go SEA)

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