UCSF

ZINC34850508

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 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) 6.00 13.04 -71.15 2 5 1 49 471.6 5
Mid Mid (pH 6-8) 6.00 9.86 -22.82 1 5 0 48 470.592 5

Activity (Go SEA)

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