UCSF

ZINC21516191

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 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) 2.90 6.14 -43.29 2 4 1 46 319.256 6
Hi High (pH 8-9.5) 2.90 4.09 -8.8 1 4 0 45 318.248 6

Activity (Go SEA)

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