UCSF

ZINC44725409

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 1.14 5.26 -83.56 3 3 2 24 225.38 4
Hi High (pH 8-9.5) 1.14 1.64 -1.77 1 3 0 19 223.364 4
Hi High (pH 8-9.5) 1.14 2.86 -35.79 2 3 1 23 224.372 4
Hi High (pH 8-9.5) 1.14 4.04 -29.72 2 3 1 20 224.372 4

Activity (Go SEA)

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