UCSF

ZINC22211739

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 12 No

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) 0.44 2.36 -34.09 1 3 1 20 171.264 3
Hi High (pH 8-9.5) 0.44 -0.02 -4.54 0 3 0 19 170.256 3
Mid Mid (pH 6-8) 0.44 2.07 -36.12 1 3 1 20 171.264 3

Activity (Go SEA)

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