UCSF

ZINC34664644

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 21 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) 3.90 7.8 -42.1 2 3 1 39 279.363 5
Hi High (pH 8-9.5) 3.90 6.41 -8.77 1 3 0 34 278.355 5

Activity (Go SEA)

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