UCSF

ZINC35841345

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 30 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) 1.35 7.78 -49.75 1 7 1 67 406.51 7
Mid Mid (pH 6-8) 1.35 7.75 -50.02 1 7 1 67 406.51 7
Mid Mid (pH 6-8) 1.35 5.5 -10.61 0 7 0 66 405.502 7

Activity (Go SEA)

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