UCSF

ZINC05131187

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2006 27 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) 5.02 5.58 -14.73 3 6 0 83 363.417 6
Hi High (pH 8-9.5) 5.02 6.34 -58.43 2 6 -1 86 362.409 6
Lo Low (pH 4.5-6) 5.02 5.89 -41.4 4 6 1 85 364.425 6

Activity (Go SEA)

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