UCSF

ZINC42811861

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 0.81 -1.5 -13.67 3 8 0 106 291.263 4
Hi High (pH 8-9.5) 0.99 -4.15 -44.36 2 8 -1 112 290.255 4

Activity (Go SEA)

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