UCSF

ZINC17327965

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 17 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) -0.48 -0.29 -14.54 2 6 0 84 258.299 2
Hi High (pH 8-9.5) -0.48 0.25 -57.23 2 6 -1 84 257.291 2

Activity (Go SEA)

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