UCSF

ZINC39339684

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 12 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) 0.84 5.87 -96.3 0 4 -2 80 172.18 5
Lo Low (pH 4.5-6) 0.84 3.96 -50.5 1 4 -1 77 173.188 5

Activity (Go SEA)

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