UCSF

ZINC31960828

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.52 2.17 -93.53 6 6 2 86 253.35 6
Hi High (pH 8-9.5) -0.52 -0.68 -17.69 4 6 0 83 251.334 6
Mid Mid (pH 6-8) -0.52 1.85 -50.29 5 6 1 84 252.342 6

Activity (Go SEA)

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