UCSF

ZINC35270749

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 31 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) 1.77 5.14 -20.73 3 8 0 102 422.485 5
Hi High (pH 8-9.5) 1.96 4.27 -48.84 2 8 -1 108 421.477 5
Hi High (pH 8-9.5) 1.77 6.37 -65.18 2 8 -1 105 421.477 5

Activity (Go SEA)

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