UCSF

ZINC87492920

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2013 30 Yes

Other Names:

MFCD03428033

N/A

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) 4.04 12.8 -50.39 2 5 -1 92 404.417 7
Mid Mid (pH 6-8) 4.04 12.47 -42.38 3 5 0 94 405.425 7

Activity (Go SEA)

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

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