UCSF

ZINC41569413

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 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) 0.23 4.2 -20.33 1 5 0 79 244.279 3
Hi High (pH 8-9.5) 0.42 2.71 -40.15 0 5 -1 85 243.271 3

Activity (Go SEA)

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