UCSF

ZINC21807982

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 17 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) 0.51 -3.19 -13.94 4 6 0 102 260.315 5
Hi High (pH 8-9.5) 0.51 -2.75 -44.46 3 6 -1 104 259.307 5

Activity (Go SEA)

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