UCSF

ZINC69964303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 16 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) 2.54 9.56 -3.8 0 5 0 57 258.112 3
Mid Mid (pH 6-8) 2.54 10.05 -29.53 1 5 1 58 259.12 3

Activity (Go SEA)

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

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