UCSF

ZINC06446845

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 43 No

Other Names:

MFCD01142561

Download: MOL2 SDF SMILES Flexibase

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) 9.45 23.58 -13.45 1 2 0 29 548.689 5
Lo Low (pH 4.5-6) 9.45 23.8 -30.92 2 2 1 30 549.697 5

Activity (Go SEA)

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