UCSF

ZINC09168130

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 25 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) 1.90 5.78 -56.99 0 6 -1 80 336.371 2
Ref Reference (pH 7) 1.90 5.93 -56.04 0 6 -1 80 336.371 2
Lo Low (pH 4.5-6) 1.44 8.29 -13.36 1 6 0 77 337.379 2

Activity (Go SEA)

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