UCSF

ZINC04054137

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 24 Yes

Other Names:

MFCD03011956

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) 4.11 -1.16 -49.66 2 4 1 36 365.284 3

Vendor Notes

Note Type Comments Provided By
melting_point 170 - 172 KeyOrganics

Activity (Go SEA)

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