UCSF

ZINC08857759

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 33 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) 4.11 12.16 -48.22 2 6 1 71 449.571 12
Mid Mid (pH 6-8) 3.52 12.86 -55.83 1 6 1 68 449.571 12

Activity (Go SEA)

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