UCSF

ZINC41370486

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 2.60 5.57 -15.46 1 6 0 70 317.389 4
Hi High (pH 8-9.5) 3.05 2.94 -55.67 0 6 -1 73 316.381 4

Activity (Go SEA)

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