UCSF

ZINC33961547

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2009 13 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) 0.95 3.91 -118.76 5 2 2 44 178.279 1
Hi High (pH 8-9.5) 0.95 3.69 -37.82 4 2 1 43 177.271 1
Hi High (pH 8-9.5) 0.95 2.8 -36.1 4 2 1 40 177.271 1

Activity (Go SEA)

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