UCSF

ZINC20120617

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 2.34 5.04 -2.93 1 3 0 24 276.424 6
Mid Mid (pH 6-8) 2.34 6.74 -39.66 2 3 1 29 277.432 6
Lo Low (pH 4.5-6) 2.34 7.47 -31.81 2 3 1 26 277.432 6

Activity (Go SEA)

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