UCSF

ZINC09009008

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 32 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) 2.92 10.27 -53.32 0 8 -1 119 428.424 6
Mid Mid (pH 6-8) 2.34 10.57 -16.34 0 8 0 113 429.432 6
Mid Mid (pH 6-8) 3.37 9.59 -13.55 1 8 0 116 429.432 5
Lo Low (pH 4.5-6) 3.37 9.87 -45.28 2 8 1 118 430.44 5
Lo Low (pH 4.5-6) 2.34 10.85 -52.13 1 8 1 114 430.44 6

Activity (Go SEA)

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