UCSF

ZINC69491547

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 22 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) 2.67 9.94 -56.67 2 4 1 47 311.434 4
Mid Mid (pH 6-8) 2.67 8.79 -9.4 1 4 0 43 310.426 4

Activity (Go SEA)

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

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