UCSF

ZINC22728564

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 21 No

Other Names:

MFCD00771945

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) 3.16 6.62 -15.94 1 5 0 68 285.299 5
Hi High (pH 8-9.5) 3.16 6.94 -58.45 0 5 -1 71 284.291 5
Lo Low (pH 4.5-6) 3.16 7.02 -43.06 2 5 1 70 286.307 5

Activity (Go SEA)

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