UCSF

ZINC44884620

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) -0.47 0.39 -39.96 3 8 -1 117 261.265 5
Lo Low (pH 4.5-6) -0.47 0.64 -13.63 4 8 0 119 262.273 5

Activity (Go SEA)

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