UCSF

ZINC53448046

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 17 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) 3.63 9.12 -111.44 3 2 2 21 240.435 5
Hi High (pH 8-9.5) 3.63 7.91 -27.71 2 2 1 16 239.427 5
Mid Mid (pH 6-8) 3.63 7.53 -34.01 2 2 1 20 239.427 5

Activity (Go SEA)

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

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