UCSF

ZINC39796875

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 17 Yes

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) -4.58 -4.26 -76.61 6 8 0 146 247.251 6
Hi High (pH 8-9.5) -4.58 -4.59 -52.97 5 8 -1 145 246.243 6

Vendor Notes

Note Type Comments Provided By
UniProt Database Links AAS_CITK8; AAS_CROS8; AAS_ECO24; AAS_ECO27; AAS_ECO45; AAS_ECO55; AAS_ECO57; AAS_ECO5E; AAS_ECO7I; AAS_ECOBW; AAS_ECODH; AAS_ECOHS; AAS_ECOK1; AAS_ECOL5; AAS_ECOL6; AAS_ECOLC; AAS_ECOLI; AAS_ECOLU; AAS_ECOSE; AAS_ECOSM; AAS_ECOUT; AAS_ENT38; AAS_ERWCT; AA ChEBI

Activity (Go SEA)

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