UCSF

ZINC43905410

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 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) 3.38 9.61 -124.1 3 3 2 30 278.44 8
Mid Mid (pH 6-8) 3.38 8.54 -34.93 2 3 1 26 277.432 8
Mid Mid (pH 6-8) 3.38 7.7 -37.5 2 3 1 29 277.432 8

Activity (Go SEA)

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