UCSF

ZINC38219569

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 12 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) 2.17 4.38 -7.27 3 4 0 68 294.483 0
Hi High (pH 8-9.5) 1.18 4.49 -93.68 7 7 2 113 396.52 4

Activity (Go SEA)

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