UCSF

ZINC53475837

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 25 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) 1.18 3.05 -40.51 1 7 -1 102 335.343 5
Lo Low (pH 4.5-6) 0.72 4.97 -11.38 2 7 0 99 336.351 5

Activity (Go SEA)

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

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