UCSF

ZINC59299291

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2011 21 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) 1.42 3.28 -45.6 4 4 1 56 286.399 2
Mid Mid (pH 6-8) 1.42 5.11 -117.13 5 4 2 57 287.407 2

Activity (Go SEA)

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