UCSF

ZINC01385357

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 21 Yes

Other Names:

MFCD00140837

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) 1.85 8.24 -12.67 1 5 0 60 282.278 3
Lo Low (pH 4.5-6) 1.85 8.79 -40.61 2 5 1 61 283.286 3

Vendor Notes

Note Type Comments Provided By
melting_point 194 - 196 KeyOrganics

Activity (Go SEA)

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