UCSF

ZINC19662946

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 22 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) 3.18 7.48 -44.14 3 3 1 40 303.47 6
Mid Mid (pH 6-8) 3.18 8.69 -32.32 3 3 1 40 303.47 6
Mid Mid (pH 6-8) 3.18 9.33 -114.37 4 3 2 41 304.478 6

Activity (Go SEA)

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