UCSF

ZINC64033582

Substance Information

In ZINC since Heavy atoms Benign functionality
June 10th, 2011 11 No

Other Names:

MFCD00272639

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) -0.75 4.29 -123.31 0 5 -2 89 158.109 2
Lo Low (pH 4.5-6) -0.75 1.95 -47.58 1 5 -1 87 159.117 2

Activity (Go SEA)

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

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