UCSF

ZINC31964491

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) -0.97 -0.6 -72.23 5 8 1 114 298.319 7
Hi High (pH 8-9.5) -0.97 -1 -24.06 4 8 0 112 297.311 7

Activity (Go SEA)

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