UCSF

ZINC32128658

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 0.92 4.59 -51.39 3 4 1 57 283.779 5
Mid Mid (pH 6-8) 0.92 4.2 -8.94 2 4 0 56 282.771 5

Activity (Go SEA)

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