UCSF

ZINC35735234

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 20 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) -0.45 1.11 -58.31 4 5 1 83 299.416 5
Hi High (pH 8-9.5) -0.45 0.78 -9.2 3 5 0 81 298.408 5

Activity (Go SEA)

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