UCSF

ZINC15222506

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2008 21 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) 3.67 4.74 -44.13 1 4 -1 64 295.343 3
Ref Reference (pH 7) 4.16 5.32 -9.52 2 4 0 65 296.351 2
Hi High (pH 8-9.5) 4.62 2.88 -49.24 1 4 -1 69 295.343 2
Hi High (pH 8-9.5) 4.62 3.57 -47.88 1 4 -1 69 295.343 2

Activity (Go SEA)

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