UCSF

ZINC00552228

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 26 Yes

Other Names:

MFCD00999799

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) 5.89 11.86 -9.17 1 3 0 38 340.426 4
Ref Reference (pH 7) 5.89 12.32 -27.5 2 3 1 39 341.434 4
Mid Mid (pH 6-8) 5.89 11.86 -8.78 1 3 0 38 340.426 4
Mid Mid (pH 6-8) 5.89 12.32 -27.44 2 3 1 39 341.434 4

Activity (Go SEA)

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