UCSF

ZINC16672842

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 22 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) 4.90 8.23 -41.58 0 3 -1 44 331.779 3
Hi High (pH 8-9.5) 5.84 6.44 -49.47 0 3 -1 48 331.779 2
Hi High (pH 8-9.5) 5.84 6.92 -46.34 0 3 -1 48 331.779 2

Activity (Go SEA)

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