UCSF

ZINC35164955

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 14 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) 3.13 5.86 -32.58 1 3 1 30 234.776 6
Hi High (pH 8-9.5) 3.13 3.7 -2.76 0 3 0 29 233.768 6

Activity (Go SEA)

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