UCSF

ZINC01329795

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 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) 3.36 -6.36 -17.55 2 8 0 114 460.581 9
Hi High (pH 8-9.5) 3.36 -5.79 -40.58 1 8 -1 116 459.573 9

Activity (Go SEA)

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