UCSF

ZINC31935643

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 2.64 8.94 -71.24 2 5 0 74 292.379 8
Lo Low (pH 4.5-6) 2.64 6.96 -29.95 3 5 0 71 293.387 8

Activity (Go SEA)

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