UCSF

ZINC35816042

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) 3.28 10.51 -16.74 1 6 0 66 420.9 4
Mid Mid (pH 6-8) 3.28 10.86 -46.33 2 6 1 67 421.908 4

Activity (Go SEA)

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