UCSF

ZINC41477611

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 20 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) 1.38 8.43 -13.32 0 5 0 55 265.32 4
Mid Mid (pH 6-8) 1.38 8.88 -43.38 1 5 1 56 266.328 4

Activity (Go SEA)

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