UCSF

ZINC04001981

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 19 No

Other Names:

MFCD04124005

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) 4.21 9.24 -7.11 1 4 0 58 276.723 4

Vendor Notes

Note Type Comments Provided By
melting_point 115 - 117 KeyOrganics

Activity (Go SEA)

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