UCSF

ZINC12493433

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) -5.03 3.8 -103.48 6 10 -1 186 289.268 11
Hi High (pH 8-9.5) -5.03 3.43 -105.13 5 10 -2 184 288.26 11
Hi High (pH 8-9.5) -5.03 3.85 -113.46 5 10 -2 184 288.26 11
Hi High (pH 8-9.5) -5.03 3.48 -108.57 5 10 -2 184 288.26 11
Lo Low (pH 4.5-6) -5.03 0.04 -88.37 7 10 0 183 290.276 11
Lo Low (pH 4.5-6) -5.03 0.04 -95.2 7 10 0 183 290.276 11
Lo Low (pH 4.5-6) -5.03 1.76 -73.64 7 10 0 183 290.276 11
Lo Low (pH 4.5-6) -5.03 2.18 -73.74 7 10 0 183 290.276 11
Lo Low (pH 4.5-6) -5.03 2.2 -78.37 7 10 0 183 290.276 11

Activity (Go SEA)

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

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