UCSF

ZINC33721274

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 33 No

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) -1.58 12.43 -33.43 2 8 1 97 443.531 3
Lo Low (pH 4.5-6) -1.58 12.87 -90.04 3 8 2 99 444.539 3

Activity (Go SEA)

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