UCSF

ZINC08779387

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 31 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) 3.04 0.65 -50.44 2 7 1 80 490.374 8
Mid Mid (pH 6-8) 2.45 0.55 -58.03 1 7 1 77 490.374 8

Activity (Go SEA)

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