UCSF

ZINC22281719

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 21 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) -1.64 -1.05 -26.56 3 8 0 111 290.279 1
Hi High (pH 8-9.5) -1.46 -3.7 -62.04 2 8 -1 118 289.271 1

Activity (Go SEA)

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