UCSF

ZINC43427097

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 3.23 8.11 -37.1 1 2 1 14 246.802 5
Mid Mid (pH 6-8) 3.23 5.94 -2.84 0 2 0 12 245.794 5

Activity (Go SEA)

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