UCSF

ZINC35680811

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 16 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) -1.45 2.24 -32.83 2 6 0 77 229.28 5
Mid Mid (pH 6-8) -1.45 2.24 -56.19 2 6 0 77 229.28 5
Mid Mid (pH 6-8) -1.45 0.04 -49.1 1 6 -1 76 228.272 5

Activity (Go SEA)

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