UCSF

ZINC41474921

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) 2.33 5.05 -11.92 1 5 0 58 287.363 4
Mid Mid (pH 6-8) 2.33 5.5 -29.23 2 5 1 60 288.371 4

Activity (Go SEA)

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