UCSF

ZINC13680429

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 27 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) -0.06 2.45 -137.41 1 8 -2 126 383.385 3
Lo Low (pH 4.5-6) -0.06 2.77 -60.93 2 8 -1 124 384.393 3

Activity (Go SEA)

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

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