UCSF

ZINC01861348

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 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) -2.98 8.92 -99.32 0 8 -1 123 565.74 10
Mid Mid (pH 6-8) -2.98 8.74 -106.32 0 8 -1 123 565.74 10

Activity (Go SEA)

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