UCSF

ZINC34590220

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 3.24 4.7 -49.98 4 5 1 76 346.447 11
Mid Mid (pH 6-8) 3.24 3.24 -9.81 3 5 0 71 345.439 11

Activity (Go SEA)

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