UCSF

ZINC37981159

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 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) 1.44 6.63 -44.17 3 3 1 46 272.368 7
Hi High (pH 8-9.5) 1.44 6.28 -5.13 2 3 0 44 271.36 7

Activity (Go SEA)

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