UCSF

ZINC37824062

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 0.99 4.15 -91.01 4 5 2 56 298.475 5
Mid Mid (pH 6-8) 0.99 3.99 -39.89 3 5 1 54 297.467 5
Lo Low (pH 4.5-6) 0.99 6.6 -171.39 5 5 3 57 299.483 5
Lo Low (pH 4.5-6) 0.99 4.22 -100.75 4 5 2 56 298.475 5

Activity (Go SEA)

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