UCSF

ZINC01390772

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 19 Yes

Other Names:

MFCD04125577

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) 1.98 4.84 -49.99 0 5 -1 79 253.237 3
Lo Low (pH 4.5-6) 1.98 5.3 -69.78 1 5 0 80 254.245 3

Vendor Notes

Note Type Comments Provided By
melting_point 266 - 268 KeyOrganics

Activity (Go SEA)

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