UCSF

ZINC43285421

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 17 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) 1.37 1.37 -39.28 4 4 1 60 321.264 5
Hi High (pH 8-9.5) 1.37 1.01 -6.8 3 4 0 58 320.256 5
Lo Low (pH 4.5-6) 1.37 3.09 -118.12 5 4 2 61 322.272 5

Activity (Go SEA)

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