UCSF

ZINC50659514

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) -0.85 -0.72 -40.18 2 8 -1 126 251.251 3
Lo Low (pH 4.5-6) -0.85 -0.36 -12.94 3 8 0 124 252.259 3

Activity (Go SEA)

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

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