UCSF

ZINC21711269

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 24 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) 5.10 9.17 -13.94 1 4 0 55 398.702 4
Hi High (pH 8-9.5) 5.17 8.22 -39.21 0 4 -1 61 397.694 4

Activity (Go SEA)

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