UCSF

ZINC19885405

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 17 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) 1.28 3.85 -53.5 3 5 1 72 240.279 7
Hi High (pH 8-9.5) 1.28 3.09 -48.5 1 5 -1 71 238.263 7
Mid Mid (pH 6-8) 1.28 2.46 -12.48 2 5 0 68 239.271 7

Activity (Go SEA)

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