UCSF

ZINC13281716

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 18 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) -1.04 -4.26 -14.67 4 9 0 132 252.234 2
Mid Mid (pH 6-8) -1.04 -3.79 -45.21 5 9 1 133 253.242 2

Activity (Go SEA)

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