UCSF

ZINC41478755

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.02 8.83 -82.49 2 4 2 31 287.407 3
Mid Mid (pH 6-8) 3.02 6.62 -25.01 1 4 1 30 286.399 3

Activity (Go SEA)

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