UCSF

ZINC37328369

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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 5.46 -10 0 4 0 53 294.811 4
Lo Low (pH 4.5-6) 2.06 7.82 -48.01 1 4 1 54 295.819 4

Activity (Go SEA)

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