UCSF

ZINC39372645

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 25 No

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) 0.32 3.42 -20.27 1 9 0 130 348.311 6
Hi High (pH 8-9.5) 1.46 4.15 -45.66 1 9 -1 136 347.303 6

Activity (Go SEA)

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