UCSF

ZINC33770308

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 39 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) 3.96 9.59 -41.5 0 8 -1 91 527.597 10
Mid Mid (pH 6-8) 3.96 11.92 -53.62 1 8 0 93 528.605 10
Lo Low (pH 4.5-6) 3.96 10.79 -58.89 2 8 1 90 529.613 10

Activity (Go SEA)

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