UCSF

ZINC10519785

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2007 30 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) 4.81 -5.88 -13.4 1 6 0 67 438.578 3
Lo Low (pH 4.5-6) 4.81 -5.84 -39.41 2 6 1 68 439.586 3

Activity (Go SEA)

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

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