UCSF

ZINC37140900

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 2.24 4.87 -42.02 3 4 1 49 351.268 3
Mid Mid (pH 6-8) 2.24 5.99 -35.42 3 4 1 46 351.268 3
Mid Mid (pH 6-8) 2.24 3.78 -4.65 2 4 0 44 350.26 3
Lo Low (pH 4.5-6) 2.24 7.07 -108.7 4 4 2 50 352.276 3

Activity (Go SEA)

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