UCSF

ZINC08830584

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 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) 3.22 8.68 -44.83 3 5 1 67 355.458 2
Hi High (pH 8-9.5) 3.22 6.57 -9.19 2 5 0 66 354.45 2

Activity (Go SEA)

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