UCSF

ZINC13719769

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 No

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) -0.64 -2.48 -49.8 6 10 -1 184 463.85 2
Hi High (pH 8-9.5) -1.38 -1.54 -147.25 5 10 -2 187 462.842 1
Hi High (pH 8-9.5) -0.64 -1.49 -103.72 5 10 -2 187 462.842 2
Mid Mid (pH 6-8) -1.38 -0.53 -80.55 7 10 0 186 464.858 1
Mid Mid (pH 6-8) -0.64 -0.44 -53.23 7 10 0 186 464.858 2

Activity (Go SEA)

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