UCSF

ZINC34885531

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 26 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) 1.83 6.25 -50.5 3 5 1 60 356.421 3
Hi High (pH 8-9.5) 1.83 4.99 -10.98 2 5 0 56 355.413 3

Activity (Go SEA)

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