UCSF

ZINC08888374

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 20 Yes

Other Names:

MFCD02082009

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) 3.21 2.11 -8.4 1 4 0 59 303.671 2

Vendor Notes

Note Type Comments Provided By
melting_point 262 - 265 KeyOrganics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.