UCSF

ZINC13281677

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 13 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) 2.00 7.92 -6.81 0 2 0 18 170.215 2
Mid Mid (pH 6-8) 2.00 8.42 -28.3 1 2 1 19 171.223 2

Activity (Go SEA)

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