UCSF

ZINC08837034

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 37 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) 3.09 8.52 -51.91 1 9 -1 115 529.013 10
Mid Mid (pH 6-8) 2.51 -0.81 -51.37 2 9 1 110 531.029 10
Mid Mid (pH 6-8) 3.09 10.78 -72.82 2 9 0 116 530.021 10
Mid Mid (pH 6-8) 1.64 7.59 -40.26 1 6 1 56 335.424 3
Mid Mid (pH 6-8) 1.64 5.31 -7.42 0 6 0 55 334.416 3
Lo Low (pH 4.5-6) 3.09 10.01 -60.22 3 9 1 113 531.029 10

Activity (Go SEA)

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