UCSF

ZINC16137756

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 37 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) 4.56 14.72 -125.5 2 8 -2 138 516.679 8
Mid Mid (pH 6-8) 4.56 12.67 -69.82 3 8 -1 136 517.687 8
Lo Low (pH 4.5-6) 4.56 10.7 -21.86 4 8 0 133 518.695 8

Activity (Go SEA)

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