UCSF

ZINC20615757

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 22 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) 3.69 6.15 -10.62 2 6 0 84 427.223 4
Hi High (pH 8-9.5) 4.15 4.12 -51.48 1 6 -1 87 426.215 4

Activity (Go SEA)

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

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