UCSF

ZINC45666203

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 2.07 5.17 -115.92 4 4 2 45 295.471 10
Hi High (pH 8-9.5) 2.07 7.12 -107.37 4 4 2 44 295.471 10
Hi High (pH 8-9.5) 2.07 2.71 -47 3 4 1 43 294.463 10

Activity (Go SEA)

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