UCSF

ZINC69563558

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 19 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) 1.84 4.92 -8.38 2 4 0 65 314.457 7
Lo Low (pH 4.5-6) 1.84 5.25 -41.53 3 4 1 67 315.465 7

Activity (Go SEA)

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

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