UCSF

ZINC40274811

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.33 11.64 -13.46 1 5 0 56 391.515 10
Mid Mid (pH 6-8) 4.33 12.15 -34.47 2 5 1 57 392.523 10

Activity (Go SEA)

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