UCSF

ZINC08411984

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 22 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) 5.72 8.85 -7.49 1 3 0 45 328.824 2
Hi High (pH 8-9.5) 6.18 6.87 -48.75 0 3 -1 48 327.816 2
Hi High (pH 8-9.5) 6.18 7.56 -47.53 0 3 -1 48 327.816 2

Activity (Go SEA)

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