UCSF

ZINC62800387

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 20 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) 2.31 5.64 -8.7 1 4 0 55 268.316 4
Lo Low (pH 4.5-6) 2.31 6.1 -40.74 2 4 1 56 269.324 4

Activity (Go SEA)

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

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