UCSF

ZINC66584831

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2011 19 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) 3.14 6.15 -126.83 0 5 -2 88 283.349 5
Mid Mid (pH 6-8) 3.14 5.88 -45.95 1 5 -1 86 284.357 5

Activity (Go SEA)

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