UCSF

ZINC48949433

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 19 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) 1.07 6.61 -39.53 2 5 1 47 267.397 6
Hi High (pH 8-9.5) 1.07 5.22 -5.91 1 5 0 42 266.389 6
Lo Low (pH 4.5-6) 1.07 6.75 -89.84 3 5 2 48 268.405 6

Activity (Go SEA)

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

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