UCSF

ZINC09123998

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 32 Yes

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) 3.47 5.11 -15.96 3 8 0 108 457.914 7
Ref Reference (pH 7) 3.47 4.73 -14.68 3 8 0 108 457.914 7
Hi High (pH 8-9.5) 3.45 5.31 -45.81 1 8 -1 107 456.906 7
Hi High (pH 8-9.5) 3.45 5.02 -56.97 1 8 -1 107 456.906 7
Hi High (pH 8-9.5) 3.47 5.87 -41.92 2 8 -1 111 456.906 7
Mid Mid (pH 6-8) 3.47 5.5 -50.66 2 8 -1 111 456.906 7

Activity (Go SEA)

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