UCSF

ZINC37319116

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 2.37 7.13 -38.54 2 5 1 56 295.403 8
Lo Low (pH 4.5-6) 2.37 8.36 -102.76 3 5 2 60 296.411 8
Lo Low (pH 4.5-6) 2.37 6.14 -35.4 2 5 1 59 295.403 8

Activity (Go SEA)

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