UCSF

ZINC22002041

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 12 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) -0.05 -0.77 -2.39 2 3 0 38 170.256 1
Mid Mid (pH 6-8) -0.05 2.14 -116.34 4 3 2 41 172.272 1
Lo Low (pH 4.5-6) -0.05 1.8 -29.96 3 3 1 40 171.264 1

Activity (Go SEA)

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