UCSF

ZINC34364885

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 29 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) 1.25 6.74 -51.72 4 8 1 104 402.519 7
Hi High (pH 8-9.5) 1.25 5.87 -15.71 3 8 0 103 401.511 7
Mid Mid (pH 6-8) 1.25 6.67 -86.14 5 8 2 105 403.527 7

Activity (Go SEA)

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