UCSF

ZINC33913769

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 30 Yes

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) 1.90 0.72 -8.88 2 7 0 82 414.502 4
Mid Mid (pH 6-8) 1.90 3.3 -39.73 3 7 1 84 415.51 4

Vendor Notes

Note Type Comments Provided By
UniProt Database Links DAT_CATRO; DV4H_CATRO ChEBI

Activity (Go SEA)

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