UCSF

ZINC08411961

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 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) 5.05 9.13 -11.06 1 6 0 91 339.376 3
Hi High (pH 8-9.5) 5.51 6.59 -44.85 0 6 -1 94 338.368 3
Hi High (pH 8-9.5) 5.51 7.24 -44.56 0 6 -1 94 338.368 3

Activity (Go SEA)

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