UCSF

ZINC42194100

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 19 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) 1.41 5.45 -16.54 2 4 0 60 271.345 3
Lo Low (pH 4.5-6) 1.41 5.89 -38.87 3 4 1 62 272.353 3

Activity (Go SEA)

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