UCSF

ZINC19665502

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 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) 1.01 4.1 -116.74 4 5 2 54 295.427 7
Mid Mid (pH 6-8) 1.01 1.63 -49.36 3 5 1 53 294.419 7
Mid Mid (pH 6-8) 1.01 3.59 -128.91 4 5 2 54 295.427 7

Activity (Go SEA)

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