UCSF

ZINC19366022

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 16 Yes

Other Names:

MFCD00144944

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) -0.73 2.89 -85.36 1 6 -1 88 229.256 6
Hi High (pH 8-9.5) -0.73 0.52 -95.15 0 6 -2 87 228.248 6
Lo Low (pH 4.5-6) -0.73 5.26 -120.33 2 6 0 89 230.264 6

Activity (Go SEA)

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