UCSF

ZINC35161901

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 19 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) 3.49 8.35 -43.34 2 2 1 26 260.332 5
Hi High (pH 8-9.5) 3.49 6.96 -4.57 1 2 0 21 259.324 5

Activity (Go SEA)

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