UCSF

ZINC12468495

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 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) 2.81 4.25 -18.45 3 9 0 117 467.522 8
Ref Reference (pH 7) 2.81 3.98 -18.51 3 9 0 117 467.522 8
Hi High (pH 8-9.5) 2.81 5.15 -43.49 2 9 -1 120 466.514 8
Hi High (pH 8-9.5) 2.58 4.25 -59.81 1 9 -1 116 466.514 8
Hi High (pH 8-9.5) 2.58 4.63 -53.71 1 9 -1 116 466.514 8

Activity (Go SEA)

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