UCSF

ZINC25071443

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 35 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) 4.47 12.1 -27.35 1 6 0 88 467.521 4
Hi High (pH 8-9.5) 4.47 12.89 -56.66 0 6 -1 91 466.513 4

Activity (Go SEA)

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