UCSF

ZINC36873146

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 11 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) -0.91 -3.14 -42.88 5 4 1 77 161.225 5
Hi High (pH 8-9.5) -0.91 -3.48 -8.58 4 4 0 75 160.217 5

Activity (Go SEA)

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