UCSF

ZINC48812389

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 26 No

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) 1.90 7.44 -43.5 2 7 1 76 360.434 9
Hi High (pH 8-9.5) 1.90 5.45 -18.95 1 7 0 75 359.426 9

Activity (Go SEA)

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