UCSF

ZINC04051026

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 15 Yes

Other Names:

MFCD01249638

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) 3.84 7.78 -6.66 0 1 0 13 197.281 0
Mid Mid (pH 6-8) 3.84 8.16 -23.99 1 1 1 14 198.289 0

Vendor Notes

Note Type Comments Provided By
melting_point 93 - 95 KeyOrganics

Activity (Go SEA)

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