UCSF

ZINC36797925

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 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) 1.51 1.44 -6.88 3 5 0 68 294.395 6
Mid Mid (pH 6-8) 1.51 3.34 -38.77 4 5 1 69 295.403 6

Activity (Go SEA)

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