UCSF

ZINC37835840

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) -0.76 4.32 -69.49 2 6 0 85 258.318 6
Lo Low (pH 4.5-6) -0.76 2.35 -39.05 3 6 1 82 259.326 6

Activity (Go SEA)

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