UCSF

ZINC42908859

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 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) 0.32 -0.12 -103.67 6 4 2 73 254.374 7
Mid Mid (pH 6-8) 0.32 -2.23 -42 5 4 1 71 253.366 7
Mid Mid (pH 6-8) 0.32 -0.42 -27.71 5 4 1 71 253.366 7

Activity (Go SEA)

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