UCSF

ZINC36678478

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 17 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) 2.42 5.94 -107.48 5 3 2 56 235.375 6
Mid Mid (pH 6-8) -0.50 6.89 -27.99 5 3 1 56 234.367 6

Activity (Go SEA)

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