UCSF

ZINC40630866

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 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) -0.90 0.78 -37.02 2 4 1 46 173.236 2
Hi High (pH 8-9.5) -0.90 -0.47 -8.77 1 4 0 42 172.228 2

Activity (Go SEA)

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