UCSF

ZINC34972921

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 3.42 5.99 -8.72 1 3 0 46 270.785 2
Hi High (pH 8-9.5) 3.88 4.33 -39.15 0 3 -1 49 269.777 2

Activity (Go SEA)

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