UCSF

ZINC35720796

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) -0.17 6.47 -61.37 0 6 -1 81 271.337 6
Lo Low (pH 4.5-6) -0.17 4.13 -13.03 1 6 0 78 272.345 6

Activity (Go SEA)

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