UCSF

ZINC34866336

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 23 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) 4.07 10.13 -43.61 2 3 1 34 360.28 5
Hi High (pH 8-9.5) 4.07 7.91 -5.72 1 3 0 32 359.272 5

Activity (Go SEA)

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