UCSF

ZINC39857949

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 31 Yes

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) 4.04 11.19 -23.25 1 6 0 72 465.547 9
Hi High (pH 8-9.5) 4.23 8.6 -49.67 0 6 -1 78 464.539 9

Activity (Go SEA)

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