UCSF

ZINC61721397

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 18 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) 0.44 5.13 -45.13 1 5 -1 82 247.274 4
Lo Low (pH 4.5-6) 0.44 3.63 -39.69 3 5 1 81 249.29 4
Lo Low (pH 4.5-6) 0.44 3.17 -8.61 2 5 0 79 248.282 4

Activity (Go SEA)

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