UCSF

ZINC49718431

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 24 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) 3.10 8.34 -12.01 0 3 0 24 350.796 3
Mid Mid (pH 6-8) 3.10 10.55 -50.97 1 3 1 25 351.804 3

Activity (Go SEA)

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