UCSF

ZINC09707582

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 31 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) 3.45 4.5 -20.56 1 8 0 105 458.565 6
Hi High (pH 8-9.5) 3.52 2.38 -55.45 0 8 -1 112 457.557 6

Activity (Go SEA)

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