UCSF

ZINC43699917

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 13 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) -2.80 0.07 -34.77 3 5 0 80 188.227 3
Hi High (pH 8-9.5) -2.80 -0.7 -41.59 2 5 -1 79 187.219 3
Lo Low (pH 4.5-6) -2.80 1.99 -83.5 4 5 1 81 189.235 3

Activity (Go SEA)

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