UCSF

ZINC41288107

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 0.72 6.43 -54.19 2 5 1 51 261.349 5
Mid Mid (pH 6-8) 0.72 6.87 -84.23 3 5 2 53 262.357 5

Activity (Go SEA)

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