UCSF

ZINC41533804

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 24 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) 4.02 10.53 -47.76 2 4 1 46 344.504 6
Mid Mid (pH 6-8) 4.02 8.51 -12.76 1 4 0 45 343.496 6

Activity (Go SEA)

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