UCSF

ZINC32116042

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 1.69 7.41 -49.68 3 3 1 48 269.368 5
Mid Mid (pH 6-8) 1.69 7.03 -9.78 2 3 0 46 268.36 5

Activity (Go SEA)

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