UCSF

ZINC19672648

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 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) 2.10 2.98 -50.17 4 3 1 57 258.139 2
Hi High (pH 8-9.5) 2.10 2.72 -6.46 3 3 0 55 257.131 2

Activity (Go SEA)

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