UCSF

ZINC02386830

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 10 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) -0.91 -0.24 -39.16 3 4 0 77 145.158 2
Hi High (pH 8-9.5) -0.91 -1.59 -44.5 2 4 -1 72 144.15 2

Activity (Go SEA)

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