UCSF

ZINC04638161

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2005 24 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) -0.85 0.12 -53.23 1 8 -1 116 334.304 6
Mid Mid (pH 6-8) -0.85 -0.32 -68.46 1 8 -1 116 334.304 5
Mid Mid (pH 6-8) -1.43 -0.11 -59.75 0 8 -1 113 334.304 6

Activity (Go SEA)

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