UCSF

ZINC04051069

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 24 Yes

Other Names:

MFCD04124750

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.23 -4.57 -56.02 3 8 1 93 335.384 5
Lo Low (pH 4.5-6) -0.23 -4.45 -102.12 4 8 2 95 336.392 5

Vendor Notes

Note Type Comments Provided By
melting_point 166 - 168 KeyOrganics

Activity (Go SEA)

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