UCSF

ZINC06733543

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 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) 2.13 4.54 -36.85 0 5 -1 66 256.694 4
Mid Mid (pH 6-8) 2.13 5.06 -7.41 1 5 0 68 257.702 4

Activity (Go SEA)

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

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