UCSF

ZINC29346349

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 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) 4.76 8.36 -40.6 2 2 1 25 282.835 5
Hi High (pH 8-9.5) 4.76 9.02 -65.81 1 2 0 27 281.827 5

Activity (Go SEA)

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