UCSF

ZINC20126895

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 2.70 4.43 -45.91 3 3 1 40 263.405 7
Mid Mid (pH 6-8) 2.70 6.96 -124.02 4 3 2 41 264.413 7
Mid Mid (pH 6-8) 2.70 5.67 -38.86 3 3 1 37 263.405 7

Activity (Go SEA)

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