UCSF

ZINC41146056

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 25 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) 0.74 4.86 -16.18 3 7 0 92 339.399 6
Mid Mid (pH 6-8) 0.74 5.22 -35.73 4 7 1 93 340.407 6

Activity (Go SEA)

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