UCSF

ZINC37417842

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 21 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) 2.23 -0.38 -95.2 1 7 -2 122 330.318 4
Hi High (pH 8-9.5) 1.77 1.92 -111.41 1 7 -2 121 330.318 4
Mid Mid (pH 6-8) 1.77 1.9 -42.41 2 7 -1 119 331.326 4
Mid Mid (pH 6-8) 2.23 -0.2 -190.3 0 7 -3 124 329.31 4

Activity (Go SEA)

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