UCSF

ZINC08840256

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 30 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) 3.50 -6.99 -16.81 1 6 0 83 446.525 5
Hi High (pH 8-9.5) 3.50 -6.41 -52.65 0 6 -1 85 445.517 5

Activity (Go SEA)

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