UCSF

ZINC18977418

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 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) 4.23 12.59 -18.92 1 10 0 128 443.504 10
Mid Mid (pH 6-8) 4.23 13.04 -52.09 2 10 1 129 444.512 10

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.