UCSF

ZINC04095660

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 12 No

CAS Numbers: 2595-97-3 , 492-62-6 , [2595-97-3]

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) -2.64 -11.44 -9.99 5 6 0 110 180.156 1

Vendor Notes

Note Type Comments Provided By
UniProt Database Links ALSA_ECOLI; ALSB_ECOLI; ALSC_ECOLI; ALSE_ECOLI; ALSK_ECOLI; GLCD2_PICTO; P2OX_PHLGI; RPIB_ECOLI; RPIB_MYCTU ChEBI

Activity (Go SEA)

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