UCSF

ZINC42863609

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 15 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) 1.59 2.09 -46.92 3 3 1 44 228.385 6
Lo Low (pH 4.5-6) 1.59 4.06 -119.69 4 3 2 45 229.393 6

Activity (Go SEA)

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