UCSF

ZINC02512503

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 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) 2.44 3.19 -2.94 0 2 0 29 218.025 2
Ref Reference (pH 7) 3.26 3.1 -6.66 1 2 0 33 218.025 1
Ref Reference (pH 7) 3.26 2.97 -3.57 1 2 0 33 218.025 1

Activity (Go SEA)

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

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