UCSF

ZINC22222647

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 13 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) 0.28 2.62 -93.96 4 3 2 35 187.331 4
Mid Mid (pH 6-8) 0.28 2.16 -120.71 4 3 2 35 187.331 4
Mid Mid (pH 6-8) 0.28 0.31 -41.08 3 3 1 34 186.323 4

Activity (Go SEA)

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