UCSF

ZINC53547702

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 26 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) 2.13 10.28 -40.81 2 5 1 61 347.442 4
Mid Mid (pH 6-8) 2.13 9.87 -23.18 1 5 0 60 346.434 4
Mid Mid (pH 6-8) 2.13 10.72 -72.89 3 5 2 62 348.45 4

Activity (Go SEA)

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

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