UCSF

ZINC80052754

Annotations

None

Vendors

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) 1.26 6.32 -52.61 0 3 -1 53 190.222 2
Lo Low (pH 4.5-6) 1.26 6.74 -51.91 1 3 0 54 191.23 2
Lo Low (pH 4.5-6) 1.26 4.74 -33.01 2 3 1 51 192.238 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.