UCSF

ZINC37854223

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.74 1.24 -15.04 2 5 0 70 239.271 5
Hi High (pH 8-9.5) 0.74 2.2 -63.96 1 5 -1 73 238.263 5

Activity (Go SEA)

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