UCSF

ZINC43893796

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 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) 1.63 7.81 -119.65 3 3 2 34 249.402 4
Mid Mid (pH 6-8) 1.63 6.04 -39.05 2 3 1 33 248.394 4

Activity (Go SEA)

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