UCSF

ZINC43419847

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) 1.90 9.36 -45 0 5 -1 80 280.735 6
Lo Low (pH 4.5-6) 1.90 9.47 -39.91 1 5 0 81 281.743 6

Activity (Go SEA)

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