UCSF

ZINC42769466

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 1.29 6.61 -51.26 3 2 1 31 277.285 5
Hi High (pH 8-9.5) 1.29 6.28 -5.77 2 2 0 29 276.277 5

Activity (Go SEA)

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