UCSF

ZINC35794887

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 26 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) 3.46 11.18 -35.64 2 6 1 63 419.347 2
Mid Mid (pH 6-8) 3.46 10.79 -10.53 1 6 0 61 418.339 2

Activity (Go SEA)

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