UCSF

ZINC41512887

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 32 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) 4.85 10.65 -42.07 2 6 1 73 456.946 3
Mid Mid (pH 6-8) 4.85 11.23 -27.34 1 6 0 76 455.938 3

Activity (Go SEA)

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