UCSF

ZINC09350583

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 25 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) 3.20 7.8 -22.57 1 6 0 73 355.419 6
Hi High (pH 8-9.5) 3.39 6.74 -45.99 0 6 -1 80 354.411 6

Activity (Go SEA)

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