UCSF

ZINC20179020

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.88 2.96 -119.95 5 4 2 62 266.385 5
Hi High (pH 8-9.5) 0.88 1.07 -45.25 4 4 1 60 265.377 5
Hi High (pH 8-9.5) 0.88 2.87 -30.98 4 4 1 60 265.377 5

Activity (Go SEA)

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