UCSF

ZINC62028020

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 21 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) 3.98 7.97 -7.05 1 3 0 36 322.861 3
Lo Low (pH 4.5-6) 3.98 8.27 -28.07 2 3 1 38 323.869 3

Activity (Go SEA)

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

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