UCSF

ZINC21799960

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 2.55 8.86 -47.51 1 4 1 35 288.758 2
Hi High (pH 8-9.5) 2.55 6.61 -10.13 0 4 0 34 287.75 2

Activity (Go SEA)

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