UCSF

ZINC31962731

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) -0.02 4.59 -97.23 5 6 2 77 293.415 5
Mid Mid (pH 6-8) -0.02 4.86 -156.49 6 6 3 79 294.423 5

Activity (Go SEA)

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