UCSF

ZINC35406405

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 17 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) -1.98 2.69 -58.09 4 7 0 115 245.279 6
Hi High (pH 8-9.5) -1.98 1.57 -65.53 3 7 -1 110 244.271 6

Activity (Go SEA)

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