UCSF

ZINC42254194

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 15 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) 2.90 6.07 -41.51 2 2 1 26 291.234 4
Hi High (pH 8-9.5) 2.90 4.64 -2.89 1 2 0 21 290.226 4

Activity (Go SEA)

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