UCSF

ZINC57911174

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 14 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) 1.93 5.39 -32.84 1 2 1 8 207.288 4
Hi High (pH 8-9.5) 1.93 3.45 -3.75 0 2 0 6 206.28 4

Activity (Go SEA)

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