UCSF

ZINC25173693

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 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) -3.25 0.53 -57.02 4 10 -1 166 299.292 7
Mid Mid (pH 6-8) -3.51 0.16 -61.36 4 10 -1 168 299.292 7
Mid Mid (pH 6-8) -3.51 -1.21 -99.62 3 10 -2 166 298.284 7
Mid Mid (pH 6-8) -3.51 -1.05 -100.51 3 10 -2 166 298.284 7

Activity (Go SEA)

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

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