UCSF

ZINC05520373

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 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) 4.15 11.06 -59.64 0 6 -1 87 366.422 4
Lo Low (pH 4.5-6) 4.15 10.93 -73.94 1 6 0 89 367.43 4

Activity (Go SEA)

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