UCSF

ZINC08321583

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2006 28 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) 3.99 9.31 -56.51 0 5 -1 74 412.874 5
Lo Low (pH 4.5-6) 3.99 8.56 -13.63 1 5 0 71 413.882 5

Activity (Go SEA)

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