UCSF

ZINC12941617

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 22 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) 3.58 4.09 -16.95 3 5 0 90 314.728 2
Mid Mid (pH 6-8) 3.58 4.88 -54.89 2 5 -1 93 313.72 2
Mid Mid (pH 6-8) 3.58 4.87 -48.97 2 5 -1 93 313.72 2

Activity (Go SEA)

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

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