UCSF

ZINC53931531

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 19 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) 1.02 3.81 -43.06 2 4 1 45 263.361 6
Mid Mid (pH 6-8) 1.02 1.56 -9.17 1 4 0 44 262.353 6
Mid Mid (pH 6-8) 1.02 3.91 -38.73 2 4 1 45 263.361 6

Activity (Go SEA)

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

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