UCSF

ZINC37871040

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 16 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) -0.17 0.51 -48.09 5 4 1 80 223.296 7
Hi High (pH 8-9.5) -0.17 -0.82 -10.66 4 4 0 75 222.288 7

Activity (Go SEA)

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