UCSF

ZINC01391385

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 20 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) 2.84 -0.44 -10.63 1 4 0 58 263.3 2
Lo Low (pH 4.5-6) 3.30 -1.72 -47.47 2 4 1 60 264.308 2

Vendor Notes

Note Type Comments Provided By
melting_point 273 - 274 KeyOrganics

Activity (Go SEA)

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