UCSF

ZINC04181880

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 14 No

CAS Number: 1205-88-5

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) 0.25 1.56 -59.27 4 6 1 103 196.186 3

Vendor Notes

Note Type Comments Provided By
MP 168-171o C Indofine

Activity (Go SEA)

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