UCSF

ZINC04550355

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 24 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) 3.97 5.53 -17.95 3 5 0 82 320.348 3
Hi High (pH 8-9.5) 3.71 8.48 -64.2 2 5 -1 81 319.34 3
Hi High (pH 8-9.5) 3.97 6.52 -64.98 2 5 -1 85 319.34 3

Activity (Go SEA)

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