UCSF

ZINC36134884

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 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) 1.98 6.79 -43.86 3 3 1 48 249.378 5
Mid Mid (pH 6-8) 1.98 6.49 -6.98 2 3 0 46 248.37 5

Activity (Go SEA)

Rings

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