UCSF

ZINC34580859

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 21 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) -0.33 5.81 -125.66 2 8 -2 145 290.231 5
Lo Low (pH 4.5-6) -0.33 3.87 -61.58 3 8 -1 143 291.239 5

Activity (Go SEA)

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