UCSF

ZINC41311873

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 27 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) 2.86 7.92 -17.49 1 5 0 53 371.525 7
Mid Mid (pH 6-8) 2.86 10.14 -57.89 2 5 1 54 372.533 7

Activity (Go SEA)

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