UCSF

ZINC38647485

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 20 No

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) -0.41 1.29 -17.78 2 8 0 99 282.3 7
Hi High (pH 8-9.5) -0.22 -1.33 -49.99 1 8 -1 105 281.292 7

Activity (Go SEA)

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