UCSF

ZINC49718464

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 25 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) 2.93 6.51 -13.61 0 4 0 41 366.433 5
Mid Mid (pH 6-8) 2.93 8.74 -62.98 1 4 1 42 367.441 5

Activity (Go SEA)

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