UCSF

ZINC87492931

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2013 27 No

Other Names:

MFCD00210328

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) 4.90 12.08 -33.9 2 4 1 51 502.267 10
Hi High (pH 8-9.5) 4.90 12.68 -37.31 1 4 0 54 501.259 10

Activity (Go SEA)

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

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