UCSF

ZINC15020131

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 30 No

CAS Number: 21233-09-0

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) 3.48 9.17 -142.5 0 8 -2 117 424.301 3

Vendor Notes

Note Type Comments Provided By
UniProt Database Links AAEA_CITK8; AAEA_CROS8; AAEA_ECO24; AAEA_ECO27; AAEA_ECO45; AAEA_ECO55; AAEA_ECO57; AAEA_ECO5E; AAEA_ECO7I; AAEA_ECO81; AAEA_ECO8A; AAEA_ECOBW; AAEA_ECODH; AAEA_ECOHS; AAEA_ECOK1; AAEA_ECOL5; AAEA_ECOL6; AAEA_ECOLC; AAEA_ECOLI; AAEA_ECOLU; AAEA_ECOSE; AAE ChEBI

Activity (Go SEA)

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