UCSF

ZINC17039928

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 22 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) 2.36 1.71 -49.08 1 6 -1 102 317.346 4
Ref Reference (pH 7) 2.36 0.03 -47.19 1 6 -1 102 317.346 4
Hi High (pH 8-9.5) 2.36 2.5 -97.46 0 6 -2 105 316.338 4
Hi High (pH 8-9.5) 2.36 0.7 -95.97 0 6 -2 105 316.338 4
Lo Low (pH 4.5-6) 2.36 2.37 -53.8 2 6 0 104 318.354 4
Lo Low (pH 4.5-6) 2.36 -0.73 -18.37 2 6 0 99 318.354 4
Lo Low (pH 4.5-6) 1.84 2.22 -17.75 2 6 0 96 318.354 4

Activity (Go SEA)

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