UCSF

ZINC53385280

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) 1.18 2.96 -42.94 2 4 1 42 239.339 6
Hi High (pH 8-9.5) 1.18 1.6 -4.3 1 4 0 38 238.331 6
Lo Low (pH 4.5-6) 1.18 5.12 -119 3 4 2 43 240.347 6

Activity (Go SEA)

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

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