UCSF

ZINC37798782

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 2.66 6.04 -42.15 3 4 1 57 344.273 7
Mid Mid (pH 6-8) 2.66 5.71 -8.68 2 4 0 56 343.265 7

Activity (Go SEA)

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