UCSF

ZINC08846123

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 35 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) 4.54 3.41 -13.44 0 6 0 72 472.516 6
Lo Low (pH 4.5-6) 4.54 3.54 -31.67 1 6 1 73 473.524 6

Activity (Go SEA)

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