UCSF

ZINC40056426

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 34 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) 5.40 13.71 -10.33 0 6 0 73 472.928 5
Mid Mid (pH 6-8) 5.40 14.02 -30.81 1 6 1 74 473.936 5

Activity (Go SEA)

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