UCSF

ZINC42764178

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 3.33 6.9 -7.8 0 3 0 36 286.297 8
Lo Low (pH 4.5-6) 3.33 8.93 -45.93 1 3 1 37 287.305 8

Activity (Go SEA)

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