UCSF

ZINC43262934

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 3.51 5.28 -44.93 3 2 1 31 332.331 6
Hi High (pH 8-9.5) 3.50 7.16 -30.11 3 2 1 30 332.331 6
Hi High (pH 8-9.5) 3.51 5.02 -2.83 2 2 0 29 331.323 6
Lo Low (pH 4.5-6) 3.51 7.46 -109.2 4 2 2 32 333.339 6

Activity (Go SEA)

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