UCSF

ZINC37835681

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.68 6.97 -50.63 0 5 -1 73 247.274 4
Lo Low (pH 4.5-6) 0.68 7.43 -67.66 1 5 0 75 248.282 4
Lo Low (pH 4.5-6) 0.68 5.44 -40.05 2 5 1 72 249.29 4
Lo Low (pH 4.5-6) 0.68 4.99 -11.06 1 5 0 71 248.282 4

Activity (Go SEA)

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