UCSF

ZINC35734055

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 19 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) 2.32 4.04 -48.33 3 4 1 63 283.417 6
Hi High (pH 8-9.5) 2.32 2.87 -8.32 2 4 0 58 282.409 6

Activity (Go SEA)

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