UCSF

ZINC94986251

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2013 16 No

Other Names:

MFCD12912742

MFCD25978118

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) -2.60 -2.69 -9.2 4 8 0 123 232.192 5
Mid Mid (pH 6-8) -2.60 -2.34 -50.38 5 8 1 125 233.2 5
Lo Low (pH 4.5-6) -2.60 -2.01 -105.39 6 8 2 126 234.208 5

Activity (Go SEA)

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

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