UCSF

ZINC42689518

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 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) 2.00 6.01 -84.86 4 3 2 35 257.466 9
Lo Low (pH 4.5-6) 2.00 8.27 -156.07 5 3 3 37 258.474 9
Lo Low (pH 4.5-6) 2.00 5.8 -79.4 4 3 2 35 257.466 9

Activity (Go SEA)

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