UCSF

ZINC41651454

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 26 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) 3.18 7.67 -9.85 0 5 0 56 350.418 3
Mid Mid (pH 6-8) 3.18 10.13 -43.34 1 5 1 57 351.426 3

Activity (Go SEA)

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