UCSF

ZINC31917129

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) -2.60 -2.76 -60.71 5 7 1 107 297.331 6
Hi High (pH 8-9.5) -2.60 -3.19 -14.61 4 7 0 105 296.323 6

Activity (Go SEA)

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