UCSF

ZINC15953217

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 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) -1.71 -0.85 -21.37 5 10 0 155 330.351 3
Hi High (pH 8-9.5) -2.08 -3.7 -111.08 3 10 -2 164 328.335 4
Hi High (pH 8-9.5) -2.08 -2.8 -51.11 4 10 -1 161 329.343 3
Lo Low (pH 4.5-6) -1.71 -2.44 -30.39 5 10 0 155 330.351 5

Activity (Go SEA)

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