UCSF

ZINC41665124

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 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) 5.84 11.15 -14.34 0 5 0 52 447.918 5
Lo Low (pH 4.5-6) 5.84 14.03 -47.9 1 5 1 53 448.926 5

Activity (Go SEA)

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