UCSF

ZINC42777560

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.39 6.66 -37.44 2 5 1 47 269.413 8
Hi High (pH 8-9.5) 1.39 5.55 -5.23 1 5 0 42 268.405 8

Activity (Go SEA)

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