UCSF

ZINC43131420

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) 2.62 9.25 -158.71 2 15 -2 192 578.45 10
Mid Mid (pH 6-8) 2.62 9.63 -125.85 3 15 -1 194 579.458 10
Lo Low (pH 4.5-6) 2.62 8.58 -101.12 5 15 1 192 581.474 10
Lo Low (pH 4.5-6) 2.62 8.47 -54.57 4 15 0 191 580.466 10
Lo Low (pH 4.5-6) 2.62 9.74 -160.13 4 15 0 195 580.466 10

Activity (Go SEA)

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

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