UCSF

ZINC49968865

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2010 19 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) 0.55 4.32 -37.41 1 5 1 37 270.397 4
Mid Mid (pH 6-8) 0.55 2.34 -8.09 0 5 0 36 269.389 4
Mid Mid (pH 6-8) 0.55 4.52 -39.7 1 5 1 37 270.397 4

Activity (Go SEA)

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