UCSF

ZINC01387752

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 19 Yes

Other Names:

MFCD00975396

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) 1.71 -1.98 -12.94 2 5 0 74 262.24 4
Mid Mid (pH 6-8) 1.71 -1.4 -39.92 3 5 1 75 263.248 4

Vendor Notes

Note Type Comments Provided By
melting_point 167 - 169 KeyOrganics

Activity (Go SEA)

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