UCSF

ZINC69968166

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 10 Yes

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) 0.34 -1.56 -42.45 2 4 1 52 158.206 2
Mid Mid (pH 6-8) 0.34 -3.26 -7.3 1 4 0 47 157.198 2

Activity (Go SEA)

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

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