UCSF

ZINC03532655

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 22 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) 2.98 5.46 -41.34 0 6 -1 94 331.251 4
Lo Low (pH 4.5-6) 2.98 5.34 -13.41 1 6 0 92 332.259 4

Activity (Go SEA)

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