UCSF

ZINC32007289

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.16 2.36 -39.5 4 2 1 48 180.271 2
Hi High (pH 8-9.5) 1.16 2.14 -5.36 3 2 0 46 179.263 2

Activity (Go SEA)

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