UCSF

ZINC36968459

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 2.87 5.26 -47.78 1 5 -1 86 334.757 4
Mid Mid (pH 6-8) 2.87 5.35 -120.29 0 5 -2 88 333.749 4

Activity (Go SEA)

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

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