UCSF

ZINC53133616

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) -2.11 -2.07 -54.97 4 6 1 100 235.267 5
Hi High (pH 8-9.5) -2.11 -2.37 -10.02 3 6 0 98 234.259 5
Lo Low (pH 4.5-6) -2.11 -1.6 -94.33 5 6 2 101 236.275 5

Activity (Go SEA)

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