UCSF

ZINC95775269

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2014 6 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) -0.72 -2.23 -6.61 2 3 0 51 83.094 0
Lo Low (pH 4.5-6) -0.72 -1.19 -32.81 3 3 1 52 84.102 0

Activity (Go SEA)

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

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