UCSF

ZINC43390871

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.21 2.88 -40.72 4 4 1 60 274.747 6
Hi High (pH 8-9.5) 1.21 0.4 -8.22 3 4 0 58 273.739 6

Activity (Go SEA)

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