UCSF

ZINC40825509

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 20 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) 3.13 6.94 -92.51 4 4 2 50 283.46 5
Hi High (pH 8-9.5) 3.32 5.36 -40.42 3 4 1 56 282.452 5

Activity (Go SEA)

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