UCSF

ZINC06170089

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2006 18 No

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) 3.46 4.67 -8.33 1 3 0 42 261.708 3
Lo Low (pH 4.5-6) 3.46 5.81 -39.75 2 3 1 43 262.716 3
Lo Low (pH 4.5-6) 3.46 5.1 -41.28 2 3 1 43 262.716 3

Activity (Go SEA)

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