UCSF

ZINC01401804

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 18 Yes

Other Names:

MFCD04124653

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) 2.83 -1.42 -9.19 1 4 0 51 262.696 3
Lo Low (pH 4.5-6) 2.83 -0.86 -37.29 2 4 1 52 263.704 3

Vendor Notes

Note Type Comments Provided By
melting_point 197 - 198 KeyOrganics

Activity (Go SEA)

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