UCSF

ZINC45751339

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 20 No

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) 2.89 7.18 -35.97 2 5 1 54 284.424 9
Hi High (pH 8-9.5) 2.89 5.05 -6.94 1 5 0 53 283.416 9

Activity (Go SEA)

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