UCSF

ZINC17123817

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 21 No

Download: MOL2 SDF SMILES Flexibase

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) 5.31 8.04 -36.83 0 3 -1 44 354.263 3
Hi High (pH 8-9.5) 6.26 6.85 -41.65 0 3 -1 48 354.263 2

Activity (Go SEA)

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