UCSF

ZINC37140821

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 3.61 9.02 -34.29 2 2 1 16 297.825 4
Mid Mid (pH 6-8) 3.61 7.83 -46.44 2 2 1 20 297.825 4

Activity (Go SEA)

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