UCSF

ZINC36321326

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) -0.15 2.65 -36.13 4 5 1 77 235.311 3
Mid Mid (pH 6-8) -0.15 2.72 -5.72 3 5 0 75 234.303 3

Activity (Go SEA)

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