UCSF

ZINC04472859

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 18 Yes

Other Names:

MFCD01468207

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) 4.09 10.02 -34.43 1 2 1 14 248.39 5
Hi High (pH 8-9.5) 4.09 7.5 -2.87 0 2 0 12 247.382 5

Activity (Go SEA)

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