UCSF

ZINC21797762

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) -0.22 1.7 -12.28 3 5 0 81 228.255 4
Lo Low (pH 4.5-6) -0.22 2.14 -39.16 4 5 1 82 229.263 4
Lo Low (pH 4.5-6) -0.22 2.05 -42.07 4 5 1 82 229.263 4

Activity (Go SEA)

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