UCSF

ZINC57211907

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2011 25 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) 1.49 8.08 -18.11 1 6 0 66 344.459 6
Lo Low (pH 4.5-6) 1.49 8.54 -38.52 2 6 1 67 345.467 6

Activity (Go SEA)

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