UCSF

ZINC66563308

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2011 23 No

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) 2.24 3.8 -38.93 4 6 1 86 320.413 7
Mid Mid (pH 6-8) 2.24 1.8 -16.52 3 6 0 85 319.405 7

Activity (Go SEA)

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