UCSF

ZINC51555850

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 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) 2.15 5.79 -35.12 2 4 1 43 257.398 7
Hi High (pH 8-9.5) 2.15 3.94 -10.33 1 4 0 42 256.39 7

Activity (Go SEA)

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