UCSF

ZINC20230391

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) 6.18 10.01 -8.93 2 6 0 72 484.261 8
Mid Mid (pH 6-8) 6.18 10.21 -43.26 1 6 -1 74 483.253 8
Mid Mid (pH 6-8) 6.18 10.36 -13.05 2 6 0 72 484.261 8

Activity (Go SEA)

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

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