UCSF

ZINC01575500

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 Yes

CAS Number: 19729-30-7

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) -3.55 -6.33 -72.85 5 7 0 125 203.198 5

Vendor Notes

Note Type Comments Provided By
UniProt Database Links CCD91_HUMAN; CCD91_MOUSE; CCD91_PONAB; CCD91_RAT; ETS2_BOVIN; ETS2_MOUSE; GADC_ECO57; GADC_ECOL6; GADC_ECOLI; GADC_LACLA; GADC_LACLM; GADC_SHIFL; GGA1_HUMAN; GGA1_MOUSE; GGA2_HUMAN; GGA2_MOUSE; GGA3_HUMAN; GGA3_MOUSE; LAA1_YEAST; YB0G_SCHPO ChEBI

Activity (Go SEA)

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