UCSF

ZINC35866269

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 2.13 -11.37 1 7 0 65 409.502 8
Mid Mid (pH 6-8) 0.54 4.29 -56.1 2 7 1 67 410.51 8
Mid Mid (pH 6-8) 0.54 4.35 -42.32 2 7 1 67 410.51 8
Lo Low (pH 4.5-6) 0.54 6.49 -107.28 3 7 2 68 411.518 8

Activity (Go SEA)

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