UCSF

ZINC35407298

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 17 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) 1.47 6.22 -46.46 2 4 0 66 250.685 3
Hi High (pH 8-9.5) 1.47 5.79 -39.51 1 4 -1 65 249.677 3

Activity (Go SEA)

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