UCSF

ZINC39898919

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.96 8.08 -12.78 3 7 0 99 489.959 6
Hi High (pH 8-9.5) 4.96 8.97 -38.72 2 7 -1 102 488.951 6
Mid Mid (pH 6-8) 4.96 8.18 -14.58 3 7 0 99 489.959 6

Activity (Go SEA)

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