UCSF

ZINC43394088

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.85 6.74 -50.22 3 2 1 31 275.441 5
Lo Low (pH 4.5-6) 2.85 8.43 -120.84 4 2 2 32 276.449 5

Activity (Go SEA)

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