UCSF

ZINC95889673

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 21 Yes

Other Names:

MFCD01468856

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.35 7.61 -105.79 3 3 2 40 282.387 6
Hi High (pH 8-9.5) 3.35 6.25 -30.58 2 3 1 35 281.379 6

Activity (Go SEA)

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

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