UCSF

ZINC62038799

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 32 No

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) 4.46 7.64 -14.3 2 7 0 101 465.556 7
Hi High (pH 8-9.5) 4.46 8.43 -44.49 1 7 -1 104 464.548 7

Activity (Go SEA)

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