UCSF

ZINC00329740

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 0.39 5.82 -9.4 0 7 0 70 345.447 6
Mid Mid (pH 6-8) 0.39 8.03 -49.21 1 7 1 71 346.455 6

Activity (Go SEA)

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