UCSF

ZINC43966916

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) 4.15 7.13 -30.83 2 3 1 29 297.507 7
Hi High (pH 8-9.5) 4.15 6.85 -2.26 1 3 0 24 296.499 7
Mid Mid (pH 6-8) 4.15 8.14 -26.81 2 3 1 26 297.507 7

Activity (Go SEA)

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