UCSF

ZINC53704991

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2010 16 Yes

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) 1.85 6.57 -38.01 2 3 1 33 236.364 5
Hi High (pH 8-9.5) 1.85 7.05 -92.48 3 3 2 34 237.372 5
Hi High (pH 8-9.5) 1.85 5.7 -27.33 2 3 1 29 236.364 5
Hi High (pH 8-9.5) 1.85 5.22 -5.75 1 3 0 28 235.356 5

Activity (Go SEA)

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