UCSF

ZINC67726770

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 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) 3.52 7.87 -13.06 3 5 0 79 387.483 3
Mid Mid (pH 6-8) 3.52 8.28 -37.84 4 5 1 81 388.491 3

Activity (Go SEA)

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