UCSF

ZINC36231609

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 0.36 0.58 -13.81 2 6 0 64 276.34 4
Mid Mid (pH 6-8) 0.36 0.89 -32.28 3 6 1 65 277.348 4
Mid Mid (pH 6-8) 0.36 2.88 -37.57 3 6 1 65 277.348 4
Lo Low (pH 4.5-6) 0.36 3.36 -80.44 4 6 2 67 278.356 4

Activity (Go SEA)

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