UCSF

ZINC09708646

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 31 Yes

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) 4.52 9.62 -15.12 1 7 0 93 442.537 8
Mid Mid (pH 6-8) 4.52 9.66 -42.62 0 7 -1 95 441.529 8
Mid Mid (pH 6-8) 4.52 9.66 -42.64 0 7 -1 95 441.529 8

Activity (Go SEA)

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

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