UCSF

ZINC43896306

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 2.99 7.98 -114.17 3 4 2 40 294.439 7
Mid Mid (pH 6-8) 2.99 6.83 -32.6 2 4 1 35 293.431 7
Mid Mid (pH 6-8) 2.99 6.24 -44.21 2 4 1 38 293.431 7

Activity (Go SEA)

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