UCSF

ZINC35429975

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 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) 1.60 9.25 -107.5 3 5 2 42 295.456 4
Hi High (pH 8-9.5) 1.60 5.91 -8.63 1 5 0 36 293.44 4

Activity (Go SEA)

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