UCSF

ZINC24924708

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 27 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) 3.33 8.66 -27.09 1 7 0 78 394.403 6
Hi High (pH 8-9.5) 2.85 7.75 -58.46 0 7 -1 85 393.395 6

Activity (Go SEA)

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