UCSF

ZINC44069447

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 16 Yes

CAS Number: 13041-79-7

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) 4.25 9.41 -5.56 0 1 0 24 205.26 2

Vendor Notes

Note Type Comments Provided By
MP 117 TCI

Activity (Go SEA)

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