UCSF

ZINC43967361

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 3.44 9.08 -34.6 2 2 1 16 259.417 6
Mid Mid (pH 6-8) 3.44 10.28 -115.08 3 2 2 21 260.425 6
Mid Mid (pH 6-8) 3.44 8.41 -32.94 2 2 1 20 259.417 6

Activity (Go SEA)

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