UCSF

ZINC35649635

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 14 No

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) -0.04 0.87 -41.51 3 4 1 54 219.33 5
Hi High (pH 8-9.5) -0.04 -1.3 -10.18 2 4 0 53 218.322 5

Activity (Go SEA)

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