UCSF

ZINC06247097

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 13 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) 1.82 4.54 -39.74 2 2 1 29 177.271 2
Hi High (pH 8-9.5) 1.82 3.45 -3.81 1 2 0 25 176.263 2
Lo Low (pH 4.5-6) 1.82 5.08 -97.26 3 2 2 31 178.279 2

Activity (Go SEA)

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