UCSF

ZINC53649397

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 16 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) 3.33 9.4 -109.2 3 2 2 21 226.408 8
Hi High (pH 8-9.5) 3.33 8.1 -30.35 2 2 1 16 225.4 8
Mid Mid (pH 6-8) 3.33 7.59 -32.18 2 2 1 20 225.4 8

Activity (Go SEA)

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

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