UCSF

ZINC57915347

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 18 Yes

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) 1.12 1.48 -9.19 1 4 0 36 263.332 6
Lo Low (pH 4.5-6) 1.12 3.6 -39.35 2 4 1 37 264.34 6

Activity (Go SEA)

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