UCSF

ZINC19677947

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 19 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) 0.87 1.91 -47.38 2 5 1 57 290.453 5
Mid Mid (pH 6-8) 0.87 2.7 -46.89 2 5 1 54 290.453 5
Mid Mid (pH 6-8) 0.87 0.49 -9.04 1 5 0 53 289.445 5
Lo Low (pH 4.5-6) 0.87 4.13 -115.33 3 5 2 58 291.461 5

Activity (Go SEA)

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