UCSF

ZINC01403478

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 17 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) 1.95 7.57 -12.42 0 4 0 38 231.299 3
Lo Low (pH 4.5-6) 1.95 8.01 -30.83 1 4 1 39 232.307 3

Vendor Notes

Note Type Comments Provided By
melting_point Gum KeyOrganics

Activity (Go SEA)

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