UCSF

ZINC39335654

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 14 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) 1.87 7.21 -46.17 0 3 -1 53 192.238 6
Lo Low (pH 4.5-6) 1.87 7.67 -63.24 1 3 0 54 193.246 6

Activity (Go SEA)

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