UCSF

ZINC43328160

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 22 No

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) 3.61 6.14 -105.45 7 4 2 84 315.546 16
Mid Mid (pH 6-8) 3.61 5.84 -46.59 6 4 1 83 314.538 16

Activity (Go SEA)

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