UCSF

ZINC29564101

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 23 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) 2.02 9.25 -40.71 2 6 1 60 317.413 2
Hi High (pH 8-9.5) 2.02 6.83 -10.09 1 6 0 59 316.405 2

Activity (Go SEA)

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