UCSF

ZINC37869829

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 13 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) 2.22 2.61 -44.26 4 3 1 60 187.307 7
Hi High (pH 8-9.5) 2.22 1.12 -6.12 3 3 0 55 186.299 7

Activity (Go SEA)

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