UCSF

ZINC37383334

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.84 13.83 -50.73 0 6 -1 82 451.3 7
Lo Low (pH 4.5-6) 4.84 14.17 -54.24 1 6 0 84 452.308 7

Activity (Go SEA)

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

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