UCSF

ZINC43394794

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 Yes

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) 3.65 6.15 -36.08 4 3 1 60 275.416 4
Hi High (pH 8-9.5) 3.65 5.17 -6.12 3 3 0 55 274.408 4

Activity (Go SEA)

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