UCSF

ZINC22142200

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) 2.09 4.3 -38.12 2 3 1 29 223.34 6
Hi High (pH 8-9.5) 2.09 3.11 -3.59 1 3 0 24 222.332 6
Mid Mid (pH 6-8) 2.09 5.68 -36.64 2 3 1 26 223.34 6
Mid Mid (pH 6-8) 2.09 6.58 -110.95 3 3 2 30 224.348 6

Activity (Go SEA)

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