UCSF

ZINC21039485

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 19 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) 0.50 2.52 -113.91 5 5 2 78 287.429 8
Hi High (pH 8-9.5) 0.50 2.14 -50.59 4 5 1 77 286.421 8

Activity (Go SEA)

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