UCSF

ZINC32126131

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 18 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) -0.99 0.47 -118.17 4 6 2 79 281.422 6
Mid Mid (pH 6-8) -0.99 -0.97 -44.64 3 6 1 74 280.414 6

Activity (Go SEA)

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