UCSF

ZINC44725412

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) 1.64 5.97 -84.87 3 3 2 24 239.407 5
Hi High (pH 8-9.5) 1.64 4.78 -28.8 2 3 1 20 238.399 5
Hi High (pH 8-9.5) 1.64 3.58 -37.68 2 3 1 23 238.399 5
Hi High (pH 8-9.5) 1.64 2.4 -1.38 1 3 0 19 237.391 5

Activity (Go SEA)

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