UCSF

ZINC19677377

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 18 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) -0.08 4.25 -49.9 2 5 1 57 252.338 2
Hi High (pH 8-9.5) -0.08 2.96 -16.47 1 5 0 53 251.33 2

Activity (Go SEA)

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