UCSF

ZINC33756096

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 23 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) 3.21 7.71 -8.83 0 4 0 33 310.397 5
Mid Mid (pH 6-8) 3.21 9.92 -39.73 1 4 1 34 311.405 5

Activity (Go SEA)

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