UCSF

ZINC04301790

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 20 Yes

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) 2.64 8.64 -44.18 1 4 1 47 275.372 5
Mid Mid (pH 6-8) 2.64 6.63 -7.92 0 4 0 45 274.364 5

Activity (Go SEA)

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