UCSF

ZINC35680654

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) -2.29 1.91 -36.43 2 6 0 77 229.28 5
Mid Mid (pH 6-8) -2.29 2.01 -62.11 2 6 0 77 229.28 5
Mid Mid (pH 6-8) -2.29 -0.27 -50.01 1 6 -1 76 228.272 5

Activity (Go SEA)

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