UCSF

ZINC21820019

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 4.41 10.76 -47.19 2 1 1 17 295.233 5
Hi High (pH 8-9.5) 4.41 9.69 -3.22 1 1 0 12 294.225 5

Activity (Go SEA)

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