UCSF

ZINC54829136

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 22 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) 2.41 3.85 -97.44 0 6 -2 101 346.698 4
Lo Low (pH 4.5-6) 2.41 3.68 -53.34 1 6 -1 99 347.706 4

Activity (Go SEA)

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