UCSF

ZINC36906719

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 14 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) 1.60 3.71 -45.28 3 2 1 31 213.37 5
Hi High (pH 8-9.5) 1.60 3.36 -2.66 2 2 0 29 212.362 5

Activity (Go SEA)

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