UCSF

ZINC20510182

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 39 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) 4.28 12.66 -16.27 0 8 0 86 522.605 8
Mid Mid (pH 6-8) 4.28 15.01 -49.17 1 8 1 88 523.613 8

Activity (Go SEA)

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