UCSF

ZINC35959026

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2009 25 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) 0.52 6.83 -54.56 1 6 1 48 351.515 3
Mid Mid (pH 6-8) 0.52 9.05 -106.36 2 6 2 49 352.523 3

Activity (Go SEA)

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