UCSF

ZINC09341482

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 26 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) 0.14 5.8 -12.9 2 9 0 107 359.386 7
Hi High (pH 8-9.5) 0.32 3.75 -48.86 1 9 -1 114 358.378 7

Activity (Go SEA)

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