UCSF

ZINC04054446

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 19 Yes

Other Names:

MFCD05669191

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) 5.01 11.65 -35.61 1 2 1 8 281.851 6
Mid Mid (pH 6-8) 5.01 9.45 -2.23 0 2 0 6 280.843 6

Activity (Go SEA)

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