UCSF

ZINC32051707

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) -1.92 3.22 -64.13 2 7 0 92 290.36 12
Mid Mid (pH 6-8) -1.92 0.79 -49.54 1 7 -1 91 289.352 12

Activity (Go SEA)

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