UCSF

ZINC51124232

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 21 Yes

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) 2.40 5.89 -32.82 2 3 1 28 299.385 5
Hi High (pH 8-9.5) 2.40 3.91 -4.44 1 3 0 27 298.377 5

Activity (Go SEA)

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