UCSF

ZINC19834941

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 13 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) -0.10 3.63 -41.09 3 3 1 40 203.331 5
Hi High (pH 8-9.5) -0.10 1.15 -11.32 2 3 0 38 202.323 5

Activity (Go SEA)

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