UCSF

ZINC13142238

Substance Information

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

Other Names:

MFCD00975510

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) 4.10 7.87 -17.12 1 7 0 82 429.835 8
Ref Reference (pH 7) 4.10 9.11 -18.14 1 7 0 82 429.835 8
Hi High (pH 8-9.5) 4.17 6.62 -57.61 0 7 -1 88 428.827 8

Vendor Notes

Note Type Comments Provided By
melting_point 141 - 143 KeyOrganics

Activity (Go SEA)

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