UCSF

ZINC16944095

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 15 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) -0.76 -1.49 -41.41 2 6 1 68 213.261 4
Hi High (pH 8-9.5) -0.76 -2.93 -7.24 1 6 0 63 212.253 4
Mid Mid (pH 6-8) -0.76 0.8 -98.2 3 6 2 69 214.269 4

Activity (Go SEA)

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