UCSF

ZINC04321686

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 17 Yes

Other Names:

MFCD00829671

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) 1.66 4.94 -54.99 1 4 -1 69 242.201 5

Vendor Notes

Note Type Comments Provided By
melting_point 125 - 128 KeyOrganics

Activity (Go SEA)

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