UCSF

ZINC32087930

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 19 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) 3.02 2.37 -48.8 4 3 1 51 328.274 4
Hi High (pH 8-9.5) 3.02 4.99 -49.67 3 3 0 54 327.266 4
Hi High (pH 8-9.5) 3.02 3.14 -71.21 3 3 0 54 327.266 4
Mid Mid (pH 6-8) 3.02 5.28 -139.25 4 3 1 55 328.274 4

Activity (Go SEA)

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