UCSF

ZINC52410870

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 23 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) 3.93 5.5 -9.15 1 5 0 65 335.425 7
Hi High (pH 8-9.5) 3.93 5.51 -44.69 0 5 -1 67 334.417 7

Activity (Go SEA)

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