UCSF

ZINC21225955

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 31 No

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) 4.41 8.15 -16.89 2 6 0 85 441.911 5
Hi High (pH 8-9.5) 4.41 8.95 -57.95 1 6 -1 88 440.903 5

Activity (Go SEA)

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