UCSF

ZINC38647487

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 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) 0.60 2.85 -18.09 2 8 0 99 310.354 9
Hi High (pH 8-9.5) 0.79 0.23 -50.92 1 8 -1 105 309.346 9

Activity (Go SEA)

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