UCSF

ZINC35554917

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 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) 4.45 9.41 -38.25 2 1 1 17 274.434 4
Mid Mid (pH 6-8) 4.45 8.25 -4.4 1 1 0 12 273.426 4

Activity (Go SEA)

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