UCSF

ZINC43979102

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 4.45 10.16 -107.43 3 2 2 21 278.484 7
Mid Mid (pH 6-8) 4.45 10.38 -28.89 2 2 1 16 277.476 7
Mid Mid (pH 6-8) 4.45 8.43 -36.31 2 2 1 20 277.476 7

Activity (Go SEA)

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