UCSF

ZINC13142254

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 33 No

Other Names:

MFCD00975504

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) 4.32 9.62 -19.6 1 7 0 82 463.387 9
Hi High (pH 8-9.5) 4.38 7.14 -59.48 0 7 -1 88 462.379 9

Vendor Notes

Note Type Comments Provided By
melting_point 113 - 116 KeyOrganics

Activity (Go SEA)

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