UCSF

ZINC01386250

Substance Information

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

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) 4.04 6.58 -10.4 0 3 0 34 278.355 3

Vendor Notes

Note Type Comments Provided By
melting_point 104 - 107 KeyOrganics

Activity (Go SEA)

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