UCSF

ZINC22778141

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 16 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) -0.36 -2.18 -39.98 3 4 1 35 229.392 0
Hi High (pH 8-9.5) -0.36 -3.07 -1.36 2 4 0 31 228.384 0
Lo Low (pH 4.5-6) -0.36 3.63 -193.79 5 4 3 38 231.408 0
Lo Low (pH 4.5-6) -0.36 1.62 -90.61 4 4 2 33 230.4 0

Activity (Go SEA)

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