UCSF

ZINC32114466

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) 0.39 3.78 -50.75 3 5 1 66 267.349 7
Mid Mid (pH 6-8) 0.39 3.4 -11.8 2 5 0 65 266.341 7

Activity (Go SEA)

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