UCSF

ZINC39367454

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 9 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) 1.12 4.77 -4.51 0 1 0 13 119.167 1
Lo Low (pH 4.5-6) 1.12 5.18 -27.56 1 1 1 14 120.175 1

Activity (Go SEA)

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