UCSF

ZINC41196638

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 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) 4.86 8.75 -31.16 2 2 1 29 283.505 8
Hi High (pH 8-9.5) 4.86 7.55 -3.69 1 2 0 25 282.497 8

Activity (Go SEA)

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