UCSF

ZINC31979074

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 1.65 5.16 -44.27 1 5 -1 78 280.344 7
Lo Low (pH 4.5-6) 1.65 4.04 -10.25 2 5 0 76 281.352 7

Activity (Go SEA)

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