UCSF

ZINC41679032

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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 3.33 -44.17 2 5 1 63 306.839 7
Hi High (pH 8-9.5) 2.07 3.48 -29.77 1 5 0 66 305.831 7
Hi High (pH 8-9.5) 2.07 1.39 -8.35 1 5 0 62 305.831 7

Activity (Go SEA)

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