UCSF

ZINC26965426

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 21 Yes

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) 0.51 -0.42 -56.05 5 6 1 95 297.375 9
Hi High (pH 8-9.5) 0.51 -1.84 -16.09 4 6 0 91 296.367 9

Activity (Go SEA)

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