UCSF

ZINC43649083

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 43 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) 2.08 7.19 -16.75 3 10 0 118 581.673 4
Hi High (pH 8-9.5) 2.08 7.84 -47.89 2 10 -1 121 580.665 4
Mid Mid (pH 6-8) 2.08 9.41 -52.33 4 10 1 119 582.681 4

Activity (Go SEA)

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