UCSF

ZINC21791843

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 5.64 11.34 -44.08 2 1 1 17 288.842 5
Hi High (pH 8-9.5) 5.64 10.2 -2.26 1 1 0 12 287.834 5

Activity (Go SEA)

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