UCSF

ZINC02807438

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 25 No

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) -0.79 -2.68 -29.25 4 10 0 157 350.331 7
Lo Low (pH 4.5-6) -0.79 -1.86 -49.87 5 10 1 158 351.339 7
Lo Low (pH 4.5-6) -0.79 -0.06 -53.45 5 10 1 158 351.339 7

Activity (Go SEA)

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