UCSF

ZINC43501445

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 15 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) -0.06 2.3 -42.47 2 4 1 38 209.317 3
Hi High (pH 8-9.5) -0.06 1.17 -5.56 1 4 0 33 208.309 3
Lo Low (pH 4.5-6) -0.06 4.79 -113.58 3 4 2 39 210.325 3

Activity (Go SEA)

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