UCSF

ZINC05837124

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 31 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) 3.93 5.9 -9.29 3 7 0 100 415.497 6
Ref Reference (pH 7) 3.93 6.5 -9.49 3 7 0 100 415.497 6
Lo Low (pH 4.5-6) 4.29 6.42 -45.86 3 7 0 97 416.505 6

Activity (Go SEA)

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