UCSF

ZINC20242976

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 32 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) 1.75 3.9 -21.99 1 8 0 96 457.552 6
Mid Mid (pH 6-8) 1.75 6.23 -63.88 2 8 1 97 458.56 6

Activity (Go SEA)

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

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