UCSF

ZINC26002910

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 37 No

CAS Number: 119942-99-3

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) -1.75 -0.67 -105.35 7 13 -1 221 542.502 11
Hi High (pH 8-9.5) -1.75 -0.92 -147.54 6 13 -2 216 541.494 11

Vendor Notes

Note Type Comments Provided By
Notes Inhibitor of thermolysin. Weak collagenase inhibitor. Does not inhibit chymotrypsin, papain, pepsin or trypsin. Apollo Scientific Bioactives

Activity (Go SEA)

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