UCSF

ZINC16666795

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 25 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) 5.29 9.87 -8.59 0 3 0 38 346.817 3
Lo Low (pH 4.5-6) 5.29 10.15 -36.04 1 3 1 40 347.825 3

Activity (Go SEA)

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