UCSF

ZINC43968470

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) 2.11 3.9 -33.19 2 5 1 48 297.419 10
Hi High (pH 8-9.5) 2.11 3.14 -4.67 1 5 0 43 296.411 10
Mid Mid (pH 6-8) 2.11 4.85 -32.7 2 5 1 44 297.419 10

Activity (Go SEA)

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