UCSF

ZINC05500018

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 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) 0.54 2.65 -11.44 3 6 0 90 207.237 3
Lo Low (pH 4.5-6) 0.54 -1.51 -30.15 4 6 1 91 208.245 3
Lo Low (pH 4.5-6) 0.54 3.06 -35.3 4 6 1 91 208.245 3

Activity (Go SEA)

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