UCSF

ZINC16212933

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 36 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) 2.92 7.94 -51.33 2 9 -1 131 495.552 14
Mid Mid (pH 6-8) 3.36 6.57 -35.16 3 9 0 128 496.56 13
Mid Mid (pH 6-8) 2.33 7.54 -28.87 2 9 0 125 496.56 14

Activity (Go SEA)

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