UCSF

ZINC05342393

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 23 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) 4.35 8.88 -48.88 3 4 1 59 330.477 5
Hi High (pH 8-9.5) 4.35 7.71 -9.49 2 4 0 54 329.469 5

Activity (Go SEA)

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