UCSF

ZINC37097457

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) 1.73 5.66 -33.63 2 2 1 16 201.359 5
Hi High (pH 8-9.5) 1.73 3.44 -2.16 1 2 0 15 200.351 5

Activity (Go SEA)

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