UCSF

ZINC42559850

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) 4.40 9.85 -109.77 3 2 2 21 252.446 5
Hi High (pH 8-9.5) 4.40 8.66 -28.84 2 2 1 16 251.438 5
Hi High (pH 8-9.5) 4.40 7.73 -29.66 2 2 1 20 251.438 5

Activity (Go SEA)

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