UCSF

ZINC13127711

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 26 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) 3.83 8.45 -61.71 1 6 -1 83 346.366 5
Mid Mid (pH 6-8) 3.83 7.54 -13.26 2 6 0 80 347.374 5
Lo Low (pH 4.5-6) 3.83 7.88 -11.81 3 6 0 82 348.382 5

Activity (Go SEA)

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