UCSF

ZINC09144824

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 34 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) 4.17 11.58 -16.71 2 6 0 87 468.582 7
Mid Mid (pH 6-8) 4.69 -1.61 -14.05 1 6 0 87 468.582 7
Mid Mid (pH 6-8) 4.69 0.32 -21.01 1 6 0 87 468.582 7
Mid Mid (pH 6-8) 4.51 -1.09 -13.06 1 6 0 87 468.582 7
Lo Low (pH 4.5-6) 4.69 -1.5 -44.35 2 6 1 88 469.59 7
Lo Low (pH 4.5-6) 4.13 0.05 -44.17 2 6 1 88 469.59 7
Lo Low (pH 4.5-6) 4.69 0.44 -51.96 2 6 1 88 469.59 7
Lo Low (pH 4.5-6) 4.51 -0.98 -44.2 2 6 1 88 469.59 7

Activity (Go SEA)

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