UCSF

ZINC37777044

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 2.74 7.09 -4.15 1 2 0 25 240.35 5
Lo Low (pH 4.5-6) 2.74 7.54 -31.8 2 2 1 26 241.358 5
Lo Low (pH 4.5-6) 2.74 8.27 -42.65 2 2 1 29 241.358 5

Activity (Go SEA)

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