UCSF

ZINC53488840

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 16 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) 2.14 6.16 -42.79 2 2 1 20 257.448 5
Hi High (pH 8-9.5) 2.14 4.47 -3.07 1 2 0 15 256.44 5
Mid Mid (pH 6-8) 2.14 6.68 -34.38 2 2 1 16 257.448 5
Lo Low (pH 4.5-6) 2.14 7.91 -124.16 3 2 2 21 258.456 5

Activity (Go SEA)

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

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