UCSF

ZINC00277913

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2005 22 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) 3.40 8.44 -43.32 2 2 1 25 310.339 7
Hi High (pH 8-9.5) 3.40 6.27 -6.21 1 2 0 23 309.331 7

Activity (Go SEA)

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