UCSF

ZINC20441492

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 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) 2.21 9.13 -42.8 2 4 1 34 285.415 5
Mid Mid (pH 6-8) 2.21 10.32 -126.68 3 4 2 39 286.423 5
Lo Low (pH 4.5-6) 2.21 10.77 -188.54 4 4 3 40 287.431 5

Activity (Go SEA)

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