UCSF

ZINC32125657

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) 2.88 4.58 -40.52 3 3 1 40 279.448 7
Hi High (pH 8-9.5) 2.88 3.14 -2.78 2 3 0 35 278.44 7
Mid Mid (pH 6-8) 2.88 5.62 -35.34 3 3 1 37 279.448 7

Activity (Go SEA)

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