UCSF

ZINC22591870

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 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) 2.17 6.38 -35.73 1 2 1 8 223.315 3
Mid Mid (pH 6-8) 2.17 6.4 -39.67 1 2 1 8 223.315 3
Mid Mid (pH 6-8) 2.17 4.01 -2.7 0 2 0 6 222.307 3

Activity (Go SEA)

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