UCSF

ZINC00555532

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 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) 4.26 2.93 -13.58 0 3 0 31 299.757 4

Vendor Notes

Note Type Comments Provided By
melting_point 93 - 97 KeyOrganics

Activity (Go SEA)

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