UCSF

ZINC03954454

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 24 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) -1.06 -5.88 -17.65 3 11 0 143 357.263 3
Lo Low (pH 4.5-6) -1.06 -5.71 -48.32 4 11 1 145 358.271 3
Lo Low (pH 4.5-6) -1.06 -5.71 -49.74 4 11 1 145 358.271 3

Activity (Go SEA)

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