UCSF

ZINC37073812

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 1.59 4.37 -36.39 2 4 1 46 229.344 6
Mid Mid (pH 6-8) 1.59 5.63 -38.05 2 4 1 43 229.344 6
Mid Mid (pH 6-8) 1.59 3.39 -5.56 1 4 0 42 228.336 6
Lo Low (pH 4.5-6) 1.59 6.6 -103.5 3 4 2 47 230.352 6

Activity (Go SEA)

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