UCSF

ZINC37334760

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 2.41 6.18 -40.19 2 3 1 42 234.319 4
Hi High (pH 8-9.5) 2.41 4.75 -41.91 0 3 -1 43 232.303 4
Mid Mid (pH 6-8) 2.41 3.97 -7.61 1 3 0 41 233.311 4

Activity (Go SEA)

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

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