UCSF

ZINC52379376

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) 1.43 5.56 -83.69 3 4 2 34 265.401 6
Mid Mid (pH 6-8) 1.43 3.2 -35.01 2 4 1 32 264.393 6
Mid Mid (pH 6-8) 1.43 5.45 -96.49 3 4 2 34 265.401 6

Activity (Go SEA)

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

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