UCSF

ZINC31895424

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 0.96 0.67 -54.96 4 3 1 61 209.294 2
Hi High (pH 8-9.5) 0.96 1.45 -82 3 3 0 64 208.286 2

Activity (Go SEA)

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