UCSF

ZINC01405842

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 22 Yes

Other Names:

MFCD04124665

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) 2.87 -0.27 -51.28 0 5 -1 71 312.374 4
Mid Mid (pH 6-8) 2.87 -0.03 -54.38 1 5 0 72 313.382 4

Vendor Notes

Note Type Comments Provided By
melting_point 290 - 292 KeyOrganics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.