UCSF

ZINC00485019

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 17 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) 2.81 4.15 -8.3 1 3 0 42 227.263 3
Lo Low (pH 4.5-6) 2.81 4.58 -38.42 2 3 1 43 228.271 3
Lo Low (pH 4.5-6) 2.81 5.3 -35.89 2 3 1 43 228.271 3

Activity (Go SEA)

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