UCSF

ZINC19451988

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 28 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) 3.72 5.33 -36.97 3 8 1 99 380.428 4
Mid Mid (pH 6-8) 3.23 5.54 -59.05 1 8 -1 100 378.412 5

Activity (Go SEA)

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

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