UCSF

ZINC54897294

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 21 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) 2.68 8.57 -49.09 3 3 1 44 302.467 2
Mid Mid (pH 6-8) 2.68 8.24 -7.43 2 3 0 42 301.459 2
Lo Low (pH 4.5-6) 2.68 8.62 -92.76 4 3 2 45 303.475 2

Activity (Go SEA)

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

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