UCSF

ZINC35188224

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 14 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) 0.33 0.13 -35.69 4 4 1 66 201.29 4
Hi High (pH 8-9.5) 0.33 -0.35 -6.97 3 4 0 61 200.282 4

Activity (Go SEA)

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