UCSF

ZINC31870879

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.33 5.78 -9.57 2 4 0 72 270.38 8
Lo Low (pH 4.5-6) 2.33 6.8 -46.91 3 4 1 76 271.388 8

Activity (Go SEA)

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