UCSF

ZINC71150512

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2011 21 No

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) -1.20 -0.72 -110.76 4 7 2 88 320.459 6
Hi High (pH 8-9.5) -1.20 -2.06 -54.34 3 7 1 83 319.451 6
Hi High (pH 8-9.5) -1.20 -2.98 -53.95 3 7 1 86 319.451 6

Activity (Go SEA)

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