UCSF

ZINC53335588

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 15 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) 1.23 3.62 -45.99 2 3 1 39 225.337 2
Mid Mid (pH 6-8) 1.23 2.24 -8.56 1 3 0 34 224.329 2

Activity (Go SEA)

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

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