UCSF

ZINC59539977

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 14 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) 1.07 0.5 -9.43 2 3 0 49 237.39 6
Hi High (pH 8-9.5) 1.07 1.03 -50.94 2 3 -1 49 236.382 6

Activity (Go SEA)

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