UCSF

ZINC31926333

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 30 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) 2.82 2.29 -14.54 3 8 0 100 459.374 9
Mid Mid (pH 6-8) 2.82 4.11 -47.15 4 8 1 101 460.382 9

Activity (Go SEA)

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