UCSF

ZINC53992214

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2010 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.13 6.92 -62.8 2 6 1 68 316.381 7
Hi High (pH 8-9.5) 0.13 4.4 -25.92 1 6 0 67 315.373 7

Activity (Go SEA)

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