UCSF

ZINC42396066

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) 0.78 4.72 -91.99 3 3 2 29 202.342 5
Hi High (pH 8-9.5) 0.78 2.56 -34.6 2 3 1 28 201.334 5

Activity (Go SEA)

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