UCSF

ZINC36161662

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 16 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) 1.45 2.62 -36.91 3 3 1 46 226.271 3
Hi High (pH 8-9.5) 1.45 2.13 -4.38 2 3 0 41 225.263 3

Activity (Go SEA)

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