UCSF

ZINC42476996

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 12 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) -1.23 0.54 -92.89 5 4 2 61 173.26 2
Hi High (pH 8-9.5) -1.04 -1.78 -50.98 4 4 1 67 172.252 2
Hi High (pH 8-9.5) -1.04 -2.15 -42.8 3 4 0 66 171.244 2
Hi High (pH 8-9.5) -1.23 0.22 -42.41 4 4 1 60 172.252 2

Activity (Go SEA)

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