UCSF

ZINC53368204

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 23 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) 3.77 4.19 -17.4 3 5 0 89 352.481 7
Hi High (pH 8-9.5) 3.77 4.67 -49.3 2 5 -1 87 351.473 7

Activity (Go SEA)

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

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