UCSF

ZINC33819255

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.11 6.06 -13.63 3 6 0 83 388.402 3
Lo Low (pH 4.5-6) 3.11 6.92 -35.06 4 6 1 84 389.41 3

Activity (Go SEA)

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