UCSF

ZINC41513465

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.90 8.41 -45.53 2 5 1 64 388.39 5
Mid Mid (pH 6-8) 3.90 9.17 -31.59 1 5 0 67 387.382 5

Activity (Go SEA)

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