UCSF

ZINC24928329

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 33 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) 4.17 12.71 -47.68 2 6 1 68 479.91 7
Hi High (pH 8-9.5) 4.17 10.34 -21.03 1 6 0 67 478.902 7

Activity (Go SEA)

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