UCSF

ZINC37804309

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) -1.67 0.26 -50.91 4 7 1 103 244.271 5
Hi High (pH 8-9.5) -1.67 -0.13 -14.66 3 7 0 102 243.263 5

Activity (Go SEA)

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