UCSF

ZINC43700241

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) -1.93 1.42 -34.59 3 5 0 80 216.281 4
Hi High (pH 8-9.5) -1.93 1.26 -41.38 2 5 -1 79 215.273 4
Lo Low (pH 4.5-6) -1.93 3.21 -79.5 4 5 1 81 217.289 4

Activity (Go SEA)

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