UCSF

ZINC20254812

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 15 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) -1.16 -1.83 -48.46 1 7 -1 99 237.257 5
Hi High (pH 8-9.5) -1.16 -2.25 -103.89 0 7 -2 101 236.249 5

Activity (Go SEA)

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