UCSF

ZINC19807787

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 17 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) 2.75 7.54 -116.52 4 2 2 32 240.435 2
Hi High (pH 8-9.5) 2.75 6.14 -43.77 3 2 1 31 239.427 2
Hi High (pH 8-9.5) 2.75 7.28 -27.29 3 2 1 30 239.427 2

Activity (Go SEA)

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