UCSF

ZINC11622192

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 25 No

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) 1.97 3.8 -15.47 3 7 0 91 352.341 4
Hi High (pH 8-9.5) 2.15 2.37 -51.46 2 7 -1 97 351.333 4

Activity (Go SEA)

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