UCSF

ZINC31854603

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 17 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) 2.19 1.33 -48.52 1 6 -1 86 248.653 3
Mid Mid (pH 6-8) 0.83 1.3 -36.66 1 6 -1 89 248.653 2
Mid Mid (pH 6-8) 0.83 1.06 -35.58 1 6 -1 89 248.653 2
Lo Low (pH 4.5-6) 1.73 2.14 -17.21 2 6 0 83 249.661 3

Activity (Go SEA)

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