UCSF

ZINC62789766

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 21 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) 1.00 4.33 -16.47 4 7 0 113 320.765 3
Mid Mid (pH 6-8) 1.00 3.85 -40.27 3 7 -1 111 319.757 3

Activity (Go SEA)

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

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