UCSF

ZINC16487713

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2008 32 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) 3.94 6.78 -30.16 2 8 0 112 468.922 6
Ref Reference (pH 7) 3.94 6.89 -21.87 2 8 0 112 468.922 6
Hi High (pH 8-9.5) 4.39 4.89 -71.45 1 8 -1 115 467.914 6
Hi High (pH 8-9.5) 4.39 5.15 -53.67 1 8 -1 115 467.914 6

Activity (Go SEA)

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