UCSF

ZINC34681626

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 34 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) 4.60 11.24 -44.81 3 6 1 70 471.503 6
Hi High (pH 8-9.5) 4.60 11.92 -34.71 2 6 0 73 470.495 6
Lo Low (pH 4.5-6) 4.60 11.6 -104.7 4 6 2 71 472.511 6

Activity (Go SEA)

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