UCSF

ZINC43443788

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 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) 2.71 4.68 -8 1 6 0 77 283.372 10
Mid Mid (pH 6-8) 2.71 5.61 -46.7 2 6 1 82 284.38 10

Activity (Go SEA)

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