UCSF

ZINC60106717

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 21 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) -1.15 3.36 -59.16 4 6 0 108 294.351 7
Mid Mid (pH 6-8) -1.15 3.14 -42.83 3 6 -1 107 293.343 7

Activity (Go SEA)

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