UCSF

ZINC01085080

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 22 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) 4.96 0.59 -4.28 1 3 0 30 376.172 6

Vendor Notes

Note Type Comments Provided By
melting_point 32 - 33 KeyOrganics

Activity (Go SEA)

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