UCSF

ZINC12404882

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2008 19 Yes

Other Names:

MFCD09832475

QA-5577

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) 2.09 1.65 -18.7 0 5 0 49 255.277 3
Mid Mid (pH 6-8) 2.09 1.98 -28.76 1 5 1 50 256.285 3

Activity (Go SEA)

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

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