UCSF

ZINC03650313

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 13 Yes

CAS Number: 1114-17-6

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) -3.22 -8.99 -51.47 5 7 -1 141 195.147 5

Vendor Notes

Note Type Comments Provided By
UniProt Database Links CRYL1_BOVIN; CRYL1_HUMAN; CRYL1_MOUSE; CRYL1_PIG; CRYL1_PONAB; CRYL1_RABIT; CRYL1_RAT; GHRB_ECOLI; IDND_ECOLI; IDND_VITVI; IDNK_ECOLI; IDNO_ECOL6; IDNO_ECOLI; IDNR_ECOLI; IDNT_ECOLI; TKRA_DICDI ChEBI
Patent Database Links US2003097029 ChEBI

Activity (Go SEA)

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