UCSF

ZINC00339217

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 No

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) 2.99 2.22 -17.9 1 7 0 93 346.314 6

Vendor Notes

Note Type Comments Provided By
melting_point 260 - 262 KeyOrganics

Activity (Go SEA)

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