UCSF

ZINC41344556

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 24 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) 1.68 6.35 -15 1 6 0 70 323.352 2
Hi High (pH 8-9.5) 2.14 3.71 -53.2 0 6 -1 73 322.344 2

Activity (Go SEA)

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