UCSF

ZINC31972217

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 0.55 3.83 -51.74 1 7 -1 99 291.283 5
Lo Low (pH 4.5-6) 0.55 2.71 -16.53 2 7 0 96 292.291 5

Activity (Go SEA)

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