UCSF

ZINC16249875

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 27 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) 6.93 13.95 -6.46 0 1 0 13 357.403 3
Lo Low (pH 4.5-6) 6.93 14.14 -32.08 1 1 1 14 358.411 3

Activity (Go SEA)

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