UCSF

ZINC20550886

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 21 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) 2.37 4.52 -39.58 4 5 1 63 311.837 5
Hi High (pH 8-9.5) 2.37 2.31 -14.24 3 5 0 62 310.829 5

Activity (Go SEA)

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