UCSF

ZINC59180927

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 19 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) 4.89 9.09 -33.61 2 2 1 29 283.505 6
Hi High (pH 8-9.5) 4.89 8.81 -2.97 1 2 0 25 282.497 6

Activity (Go SEA)

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