UCSF

ZINC09569299

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 34 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) 5.83 -6.89 -16.03 1 6 0 83 496.654 5
Hi High (pH 8-9.5) 5.83 -6.32 -54.77 0 6 -1 85 495.646 5

Activity (Go SEA)

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