UCSF

ZINC32048610

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) -1.02 1.45 -51.82 3 6 1 75 270.353 5
Mid Mid (pH 6-8) -1.02 0.08 -10.62 2 6 0 71 269.345 5

Activity (Go SEA)

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