UCSF

ZINC37791790

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 0.45 2.33 -50.9 1 6 -1 82 269.321 5
Mid Mid (pH 6-8) 0.45 4.45 -60.32 2 6 0 83 270.329 5
Lo Low (pH 4.5-6) 0.45 2.76 -44.64 3 6 1 80 271.337 5

Activity (Go SEA)

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