UCSF

ZINC41204341

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 4.60 11.42 -39.16 2 1 1 17 338.949 4
Hi High (pH 8-9.5) 4.60 10.68 -3.59 1 1 0 12 337.941 4

Activity (Go SEA)

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