UCSF

ZINC37654083

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 17 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) 0.27 3.75 -12.1 0 4 0 36 253.733 3
Mid Mid (pH 6-8) 0.27 5.98 -55.9 1 4 1 38 254.741 3

Activity (Go SEA)

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

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