UCSF

ZINC32054749

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 1.84 2.81 -49.9 4 4 1 60 279.404 5
Hi High (pH 8-9.5) 1.84 5.31 -50.53 3 4 0 63 278.396 5
Hi High (pH 8-9.5) 1.84 5.42 -125.57 4 4 1 64 279.404 5
Hi High (pH 8-9.5) 1.84 4.38 -35.3 4 4 1 60 279.404 5

Activity (Go SEA)

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