UCSF

ZINC39291532

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 19 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) 1.90 -0.53 -12.86 3 7 0 113 270.237 6
Hi High (pH 8-9.5) 1.90 1.03 -119.78 1 7 -2 119 268.221 6
Mid Mid (pH 6-8) 1.90 0.25 -50.48 2 7 -1 116 269.229 6
Mid Mid (pH 6-8) 1.90 0.25 -45.61 2 7 -1 116 269.229 6

Activity (Go SEA)

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