UCSF

ZINC39706223

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 14 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) 2.44 7.15 -112.02 3 2 2 21 198.354 2
Hi High (pH 8-9.5) 2.44 6.11 -29.68 2 2 1 16 197.346 2
Hi High (pH 8-9.5) 2.44 5.49 -32.16 2 2 1 20 197.346 2

Activity (Go SEA)

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