UCSF

ZINC37999785

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 15 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) -0.45 0.14 -53.24 3 6 1 85 211.245 5
Hi High (pH 8-9.5) -0.45 -1.22 -14.37 2 6 0 80 210.237 5

Activity (Go SEA)

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