UCSF

ZINC37862166

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 1.17 0.52 -12.54 2 5 0 70 239.271 5
Hi High (pH 8-9.5) 1.17 1.29 -58.39 1 5 -1 73 238.263 5

Activity (Go SEA)

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