UCSF

ZINC43415691

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 Yes

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) 1.38 7.02 -43.17 3 4 1 63 262.377 7
Mid Mid (pH 6-8) 1.38 5.05 -6.91 2 4 0 62 261.369 7

Activity (Go SEA)

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