UCSF

ZINC05162270

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 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) 2.55 4.19 -15.33 4 8 0 126 415.453 5
Lo Low (pH 4.5-6) 2.55 4.47 -66.33 5 8 1 128 416.461 5

Activity (Go SEA)

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