UCSF

ZINC62038744

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 33 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) 5.86 7.54 -18.18 3 7 0 112 485.631 6
Hi High (pH 8-9.5) 5.86 8.31 -48.14 2 7 -1 115 484.623 6

Activity (Go SEA)

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