UCSF

ZINC08680781

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2007 25 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) 2.42 4.42 -10.8 3 7 0 114 338.367 5
Ref Reference (pH 7) 2.42 3.71 -12.13 3 7 0 114 338.367 5
Lo Low (pH 4.5-6) 2.42 4.14 -47.44 4 7 1 116 339.375 5

Activity (Go SEA)

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