UCSF

ZINC04217905

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 26 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) 3.42 8.85 -12.68 2 7 0 104 372.381 6
Lo Low (pH 4.5-6) 3.42 9.25 -49.66 3 7 1 105 373.389 6

Activity (Go SEA)

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