UCSF

ZINC49333955

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 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) 2.48 9.19 -83.31 3 3 2 24 281.488 7
Mid Mid (pH 6-8) 2.48 8.22 -99.24 3 3 2 21 281.488 7
Mid Mid (pH 6-8) 2.48 9.5 -183.2 4 3 3 25 282.496 7

Activity (Go SEA)

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

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