UCSF

ZINC19485746

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 17 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 -0.87 -70.57 4 5 1 91 261.367 2
Hi High (pH 8-9.5) 0.33 -1.14 -15.74 3 5 0 89 260.359 2

Activity (Go SEA)

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