UCSF

ZINC05456773

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 29 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) 3.97 5.6 -9.45 3 6 0 97 390.418 5
Ref Reference (pH 7) 3.97 6.19 -9.91 3 6 0 97 390.418 5
Lo Low (pH 4.5-6) 3.97 6.49 -57.91 4 6 1 99 391.426 5

Activity (Go SEA)

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