UCSF

ZINC43966685

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 4.28 7.99 -30.14 2 3 1 29 297.507 6
Hi High (pH 8-9.5) 4.28 7.32 -0.86 1 3 0 24 296.499 6
Mid Mid (pH 6-8) 4.28 9.39 -28.87 2 3 1 26 297.507 6

Activity (Go SEA)

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