UCSF

ZINC41512818

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) 5.11 11.1 -45.3 2 4 1 55 398.91 3
Mid Mid (pH 6-8) 5.11 11.87 -29.43 1 4 0 58 397.902 3

Activity (Go SEA)

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