UCSF

ZINC43445833

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) 0.18 2.91 -86.77 5 5 2 68 252.362 5
Mid Mid (pH 6-8) 0.18 0.72 -32.13 4 5 1 67 251.354 5

Activity (Go SEA)

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