UCSF

ZINC42763826

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.82 5.3 -6.55 0 2 0 16 264.678 5
Mid Mid (pH 6-8) 2.82 7.32 -44.99 1 2 1 17 265.686 5

Activity (Go SEA)

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