UCSF

ZINC06786745

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 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) 3.68 0.49 -61.31 1 7 -1 106 422.457 9
Mid Mid (pH 6-8) 2.65 0.34 -55.72 0 7 -1 103 422.457 10

Activity (Go SEA)

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