UCSF

ZINC31829307

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 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) 2.80 4.11 -49.37 3 3 1 40 269.796 4
Mid Mid (pH 6-8) 2.80 6.33 -36.56 3 3 1 40 269.796 4
Mid Mid (pH 6-8) 2.80 6.53 -119.95 4 3 2 41 270.804 4

Activity (Go SEA)

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