UCSF

ZINC03134590

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 25 Yes

Other Names:

MFCD00244047

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) 6.22 11.43 -12.21 0 3 0 31 388.685 3
Lo Low (pH 4.5-6) 6.22 11.84 -28.13 1 3 1 32 389.693 3

Vendor Notes

Note Type Comments Provided By
melting_point 134 - 136 KeyOrganics

Activity (Go SEA)

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