UCSF

ZINC37043092

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 3.66 11.27 -100.65 3 2 2 21 290.495 5
Hi High (pH 8-9.5) 3.66 10.36 -33.07 2 2 1 16 289.487 5
Hi High (pH 8-9.5) 3.66 8.71 -36.49 2 2 1 20 289.487 5

Activity (Go SEA)

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