UCSF

ZINC41304575

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 26 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) 3.24 9.33 -21.94 1 7 0 90 391.522 6
Hi High (pH 8-9.5) 3.31 7.63 -59.49 0 7 -1 96 390.514 6

Activity (Go SEA)

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