UCSF

ZINC45661284

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) 2.69 7.09 -103.64 4 4 2 54 291.439 2
Hi High (pH 8-9.5) 2.69 6.67 -24.29 3 4 1 53 290.431 2
Hi High (pH 8-9.5) 2.69 6.65 -48.2 3 4 1 53 290.431 2

Activity (Go SEA)

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