UCSF

ZINC38122649

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 13 No

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) 1.58 2.26 -38.58 3 2 1 37 202.343 3
Hi High (pH 8-9.5) 1.58 1.53 -4.47 2 2 0 32 201.335 3

Activity (Go SEA)

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

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