UCSF

ZINC35866271

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 29 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) 0.54 1.53 -11.16 1 7 0 65 409.502 8
Mid Mid (pH 6-8) 0.54 3.77 -55.32 2 7 1 67 410.51 8
Mid Mid (pH 6-8) 0.54 3.84 -42.5 2 7 1 67 410.51 8
Lo Low (pH 4.5-6) 0.54 6.08 -113.68 3 7 2 68 411.518 8

Activity (Go SEA)

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