UCSF

ZINC43895185

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.73 7.23 -31.53 2 4 1 35 297.463 6
Hi High (pH 8-9.5) 2.73 5.43 -1.93 1 4 0 34 296.455 6
Mid Mid (pH 6-8) 2.73 6.15 -33.98 2 4 1 38 297.463 6

Activity (Go SEA)

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