UCSF

ZINC13125347

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 24 Yes

Other Names:

MFCD04124474

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) 4.20 9.27 -12.22 1 4 0 51 315.376 3
Lo Low (pH 4.5-6) 4.20 9.25 -37.98 2 4 1 52 316.384 2

Vendor Notes

Note Type Comments Provided By
melting_point 128 - 130 KeyOrganics

Activity (Go SEA)

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