UCSF

ZINC32607122

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 27 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) 0.53 8 -49.05 2 5 0 75 365.339 2
Hi High (pH 8-9.5) 1.84 7.59 -48.92 1 5 -1 78 364.331 2

Activity (Go SEA)

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