UCSF

ZINC48382381

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 24 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) 2.30 6.41 -60.28 2 7 -1 108 333.364 6
Lo Low (pH 4.5-6) 2.30 4.37 -18.37 3 7 0 105 334.372 6

Activity (Go SEA)

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