UCSF

ZINC42477496

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 19 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) 0.42 -0.17 -46.7 5 5 1 89 284.405 5
Mid Mid (pH 6-8) 0.42 -0.33 -53.22 5 5 1 89 284.405 5
Mid Mid (pH 6-8) 0.42 1.01 -122.61 6 5 2 93 285.413 5

Activity (Go SEA)

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