UCSF

ZINC03896111

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 26 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) -3.54 5.67 -54.71 2 10 0 126 378.422 4
Hi High (pH 8-9.5) -3.54 3.81 -90.46 1 10 -1 125 377.414 4

Activity (Go SEA)

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