UCSF

ZINC35151063

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 18 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) 2.49 6.53 -42.26 2 3 1 35 250.362 6
Hi High (pH 8-9.5) 2.49 5.18 -3.94 1 3 0 30 249.354 6

Activity (Go SEA)

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