UCSF

ZINC43446470

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 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) 3.06 7.95 -38.18 2 3 1 43 228.356 6
Mid Mid (pH 6-8) 3.06 6.9 -4.48 1 3 0 38 227.348 6

Activity (Go SEA)

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