UCSF

ZINC22175469

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 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) 0.30 2.4 -101.98 4 5 2 69 271.386 3
Hi High (pH 8-9.5) 0.30 -0.4 -8.81 2 5 0 67 269.37 3
Mid Mid (pH 6-8) 0.30 -0.01 -54.77 3 5 1 68 270.378 3

Activity (Go SEA)

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