UCSF

ZINC62539453

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 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) 2.18 7.5 -16.41 1 7 0 93 294.307 9
Mid Mid (pH 6-8) 2.18 8.47 -52.97 2 7 1 98 295.315 9

Activity (Go SEA)

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

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