UCSF

ZINC38002360

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 14 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) 1.40 3.44 -50.42 4 3 1 56 273.179 3
Lo Low (pH 4.5-6) 1.40 3.83 -111.74 5 3 2 58 274.187 3
Lo Low (pH 4.5-6) 1.40 3.85 -112.13 5 3 2 58 274.187 3

Activity (Go SEA)

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