UCSF

ZINC21639840

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 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) 3.33 10.52 -46.7 2 6 1 61 341.435 5
Hi High (pH 8-9.5) 3.33 8.24 -8.28 1 6 0 60 340.427 5

Activity (Go SEA)

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