UCSF

ZINC17250164

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 30 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) 3.54 4.7 -16.43 2 8 0 107 444.538 5
Hi High (pH 8-9.5) 2.61 4.36 -50.17 1 8 -1 106 443.53 6

Activity (Go SEA)

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