UCSF

ZINC41194313

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 24 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) 1.70 5.96 -10.46 2 6 0 85 322.368 6
Hi High (pH 8-9.5) 1.89 5.15 -41.89 1 6 -1 92 321.36 6

Activity (Go SEA)

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