UCSF

ZINC40750295

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 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) 1.19 4.41 -105.59 4 5 2 71 266.389 3
Mid Mid (pH 6-8) 1.19 2.2 -45.85 3 5 1 70 265.381 3

Activity (Go SEA)

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