UCSF

ZINC13469088

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) -1.18 -2.05 -83.57 8 6 2 116 196.21 4
Ref Reference (pH 7) -1.44 -2.18 -11.41 6 6 0 117 194.194 2
Ref Reference (pH 7) -1.44 -1.76 -8.95 6 6 0 117 194.194 2
Hi High (pH 8-9.5) -1.18 -1.03 -55.86 7 6 1 119 195.202 4
Lo Low (pH 4.5-6) -1.44 -2.22 -39.18 7 6 1 119 195.202 2
Lo Low (pH 4.5-6) -1.44 -1.92 -38.02 7 6 1 119 195.202 2
Lo Low (pH 4.5-6) -1.44 -2.02 -39.85 7 6 1 119 195.202 2
Lo Low (pH 4.5-6) -1.44 -2.12 -36.67 7 6 1 119 195.202 2

Activity (Go SEA)

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