UCSF

ZINC05765136

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 14 Yes

CAS Numbers: 1013-69-0 , [1013-69-0]

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) 1.25 1.03 -18.94 2 4 0 71 192.17 0
Hi High (pH 8-9.5) 1.25 2.04 -64.45 1 4 -1 73 191.162 0

Vendor Notes

Note Type Comments Provided By
UniProt Database Links PCS_ALOAR ChEBI

Activity (Go SEA)

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