UCSF

ZINC04450761

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 23 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) -0.02 1.87 -10.7 2 7 0 90 313.313 5
Lo Low (pH 4.5-6) -0.02 2.15 -41.81 3 7 1 91 314.321 5

Activity (Go SEA)

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