UCSF

ZINC49753864

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 17 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) -0.68 2.26 -57.82 3 5 1 78 240.327 6
Mid Mid (pH 6-8) -0.68 0.02 -13.32 2 5 0 76 239.319 6

Activity (Go SEA)

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