UCSF

ZINC03955524

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 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) 2.92 -1.69 -14.75 2 6 0 81 412.493 3
Lo Low (pH 4.5-6) 2.92 -1.58 -50.35 3 6 1 83 413.501 3

Activity (Go SEA)

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