UCSF

ZINC04107997

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 21 Yes

Other Names:

MFCD02169916

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) 3.21 9.12 -46.77 2 3 1 35 284.379 6
Hi High (pH 8-9.5) 3.21 7.73 -7.12 1 3 0 30 283.371 6

Vendor Notes

Note Type Comments Provided By
melting_point 0 KeyOrganics

Activity (Go SEA)

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