UCSF

ZINC60701097

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 21 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) 4.88 9.75 -31.06 2 2 1 29 352.271 6
Hi High (pH 8-9.5) 4.88 8.78 -3.28 1 2 0 25 351.263 6
Lo Low (pH 4.5-6) 4.88 9.16 -31.87 2 2 1 26 352.271 6

Activity (Go SEA)

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