UCSF

ZINC20228193

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 32 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) 6.07 11.23 -18.61 1 8 0 110 453.52 5
Mid Mid (pH 6-8) 6.07 12.31 -58.18 0 8 -1 112 452.512 5
Mid Mid (pH 6-8) 6.07 11.59 -59.41 0 8 -1 112 452.512 5

Activity (Go SEA)

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