UCSF

ZINC67726170

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 26 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) 1.59 8.53 -51.84 2 6 1 70 355.462 1
Hi High (pH 8-9.5) 2.49 6.67 -84.43 1 6 0 74 354.454 1

Activity (Go SEA)

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