UCSF

ZINC43460955

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 3.27 4.99 -7.43 3 4 0 68 325.116 1
Mid Mid (pH 6-8) 3.27 4.65 -38.28 2 4 -1 66 324.108 1

Activity (Go SEA)

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