UCSF

ZINC04054445

Substance Information

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

Other Names:

MFCD05669190

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) 5.06 10.99 -40.6 1 2 1 8 281.851 6
Mid Mid (pH 6-8) 5.06 8.78 -2.5 0 2 0 6 280.843 6

Activity (Go SEA)

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