UCSF

ZINC43335305

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 17 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) 1.04 2.61 -39.43 3 4 1 53 239.339 3
Lo Low (pH 4.5-6) 1.04 4.03 -112.45 4 4 2 54 240.347 3

Activity (Go SEA)

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