UCSF

ZINC37825264

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) -0.34 1.65 -104.11 6 7 2 109 298.387 8
Hi High (pH 8-9.5) -0.34 1.31 -51 5 7 1 107 297.379 8

Activity (Go SEA)

Rings

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