UCSF

ZINC12323302

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 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) 2.44 8.21 -50.62 1 7 -1 95 324.364 4
Lo Low (pH 4.5-6) 1.98 9.59 -23.61 2 7 0 92 325.372 4

Activity (Go SEA)

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