UCSF

ZINC36800893

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 3.68 12.28 -42.82 1 3 1 25 361.868 3
Hi High (pH 8-9.5) 3.68 10.45 -9.49 0 3 0 24 360.86 3

Activity (Go SEA)

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