UCSF

ZINC41204843

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 20 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 3.46 -39.66 4 4 1 63 296.46 6
Hi High (pH 8-9.5) 1.90 2.41 -9.53 3 4 0 58 295.452 6
Mid Mid (pH 6-8) 1.90 4.61 -40.76 4 4 1 60 296.46 6

Activity (Go SEA)

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