UCSF

ZINC44681391

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) -2.00 3.55 -111.38 2 8 -2 131 274.273 9
Lo Low (pH 4.5-6) -2.00 1.63 -57.27 3 8 -1 128 275.281 9

Activity (Go SEA)

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