UCSF

ZINC39956589

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 20 No

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) 1.68 5.73 -37.66 2 7 1 78 345.221 5
Hi High (pH 8-9.5) 1.68 3.36 -4.53 1 7 0 77 344.213 5
Mid Mid (pH 6-8) 1.68 5.61 -40.28 2 7 1 78 345.221 5

Activity (Go SEA)

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