UCSF

ZINC20217858

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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) 1.21 5.75 -109.9 4 4 2 52 241.379 1
Hi High (pH 8-9.5) 1.21 3.07 -10.04 2 4 0 50 239.363 1
Hi High (pH 8-9.5) 1.21 3.23 -45.56 3 4 1 51 240.371 1
Hi High (pH 8-9.5) 1.21 5.59 -39.03 3 4 1 51 240.371 1

Activity (Go SEA)

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