UCSF

ZINC36157853

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 12 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) 1.72 1.17 -47.92 4 2 1 48 206.718 3
Hi High (pH 8-9.5) 1.72 0.82 -2.35 3 2 0 46 205.71 3

Activity (Go SEA)

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