UCSF

ZINC49595687

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 18 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) 2.90 8.08 -33.48 1 2 1 8 314.222 3
Mid Mid (pH 6-8) 2.90 5.67 -2.73 0 2 0 6 313.214 3
Mid Mid (pH 6-8) 2.90 7.75 -35.79 1 2 1 8 314.222 3

Activity (Go SEA)

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