UCSF

ZINC95871242

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2014 31 Yes

Other Names:

MFCD00069313

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) 3.06 6.27 -60.05 3 5 1 66 415.513 2
Hi High (pH 8-9.5) 3.06 4.12 -16.81 2 5 0 65 414.505 2

Activity (Go SEA)

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

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