UCSF

ZINC37268360

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 15 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) -2.50 -0.83 -99.05 6 6 2 95 218.301 7
Hi High (pH 8-9.5) -2.50 -3.05 -54.76 5 6 1 94 217.293 7

Activity (Go SEA)

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