UCSF

ZINC40882767

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.72 11.14 -15.68 1 6 0 88 367.43 4
Hi High (pH 8-9.5) 4.78 9.09 -44.96 0 6 -1 94 366.422 4

Activity (Go SEA)

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