UCSF

ZINC62963503

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 13 No

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) -1.34 -3.52 -19 2 5 0 75 204.251 0
Lo Low (pH 4.5-6) -1.34 -2.4 -68.27 3 5 1 80 205.259 0

Activity (Go SEA)

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

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