UCSF

ZINC64634218

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2011 34 No

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) -5.25 -19.49 -19.36 11 16 0 277 504.438 11

Vendor Notes

Note Type Comments Provided By
UniProt Database Links AES_ECO24; AES_ECO27; AES_ECO45; AES_ECO55; AES_ECO57; AES_ECO5E; AES_ECO7I; AES_ECO81; AES_ECO8A; AES_ECOBW; AES_ECODH; AES_ECOHS; AES_ECOK1; AES_ECOL5; AES_ECOL6; AES_ECOLC; AES_ECOLI; AES_ECOLU; AES_ECOSE; AES_ECOSM; AES_ECOUT; AES_SALA4; AES_SALCH; AE ChEBI

Activity (Go SEA)

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

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