UCSF

ZINC43985563

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 1.45 2.39 -37.56 2 4 1 38 255.382 2
Lo Low (pH 4.5-6) 1.45 4.49 -108.33 3 4 2 40 256.39 2

Activity (Go SEA)

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