UCSF

ZINC36820279

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 2.96 5.4 -29.83 1 3 1 30 234.776 5
Hi High (pH 8-9.5) 2.96 4.06 -2.48 0 3 0 29 233.768 5

Activity (Go SEA)

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