UCSF

ZINC25444731

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 1.88 9.28 -18.94 1 5 0 60 310.382 4
Hi High (pH 8-9.5) 1.95 8.37 -46.89 0 5 -1 66 309.374 4

Activity (Go SEA)

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