UCSF

ZINC23283069

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 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) 2.29 8.36 -35.43 1 2 1 8 231.363 1
Hi High (pH 8-9.5) 2.29 6.22 -2.43 0 2 0 6 230.355 1

Activity (Go SEA)

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