UCSF

ZINC46084732

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 25 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 6.71 -13.7 1 6 0 73 360.797 5
Hi High (pH 8-9.5) 3.54 7.84 -59.74 0 6 -1 76 359.789 5
Hi High (pH 8-9.5) 3.54 7.02 -51.55 0 6 -1 76 359.789 5

Activity (Go SEA)

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