UCSF

ZINC43425952

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.54 4.45 -48.9 0 5 -1 66 250.274 3
Mid Mid (pH 6-8) 1.54 6.71 -59.69 1 5 0 67 251.282 3

Activity (Go SEA)

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