UCSF

ZINC31001608

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2009 30 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) 1.79 4.92 -18.33 1 8 0 100 451.57 5
Hi High (pH 8-9.5) 1.79 4.56 -49.62 0 8 -1 102 450.562 5

Activity (Go SEA)

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