UCSF

ZINC33697613

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.93 9.91 -12.37 3 5 0 77 443.553 5
Lo Low (pH 4.5-6) 5.93 10.3 -33.87 4 5 1 78 444.561 5

Activity (Go SEA)

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