UCSF

ZINC20569577

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 32 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) 3.60 3.08 -23.75 2 9 0 123 450.476 7
Hi High (pH 8-9.5) 3.66 1.65 -126.33 0 9 -2 132 448.46 7
Mid Mid (pH 6-8) 3.60 3.08 -63.35 1 9 -1 125 449.468 7

Activity (Go SEA)

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