UCSF

ZINC00000650

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 24 Yes

CAS Number: 13409-53-5

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) 3.23 -2.07 -50.08 1 5 1 39 346.476 4

Activity (Go SEA)

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