UCSF

ZINC15454070

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 18 No

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) -1.62 6.56 -29.68 0 3 1 12 267.78 3
Mid Mid (pH 6-8) -1.62 9.09 -104.25 1 3 2 14 268.788 3

Activity (Go SEA)

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