UCSF

ZINC42774373

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 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) 3.45 6.8 -9.61 0 2 0 20 279.689 6
Lo Low (pH 4.5-6) 3.45 8.38 -48.56 1 2 1 22 280.697 6

Activity (Go SEA)

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