UCSF

ZINC52262040

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 19 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) 2.06 4.39 -45.6 1 5 -1 79 330.154 4
Lo Low (pH 4.5-6) 2.06 2.58 -9.41 2 5 0 76 331.162 4

Activity (Go SEA)

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