UCSF

ZINC22210885

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 1.33 5.24 -45.89 2 2 1 20 237.392 4
Hi High (pH 8-9.5) 1.32 4.27 -3.72 1 2 0 15 236.384 4
Mid Mid (pH 6-8) 1.32 7.93 -123.1 3 2 2 21 238.4 4
Mid Mid (pH 6-8) 1.33 6.78 -36.84 2 2 1 16 237.392 4

Activity (Go SEA)

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