UCSF

ZINC35500927

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 2.47 5.51 -41.72 2 4 1 48 325.182 3
Hi High (pH 8-9.5) 2.47 4.55 -5.92 1 4 0 44 324.174 3

Activity (Go SEA)

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