UCSF

ZINC57854516

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 22 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) 1.64 9.61 -49.16 2 9 1 97 322.374 6
Hi High (pH 8-9.5) 1.64 7.13 -14.2 1 9 0 96 321.366 6

Activity (Go SEA)

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