UCSF

ZINC62187729

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 21 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) 0.46 3.36 -12.26 0 6 0 53 297.399 5
Mid Mid (pH 6-8) 0.46 5.63 -47.76 1 6 1 54 298.407 5

Activity (Go SEA)

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