UCSF

ZINC19665493

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) 0.59 4.7 -115.6 4 5 2 54 295.427 7
Mid Mid (pH 6-8) 0.59 2.22 -49.01 3 5 1 53 294.419 7
Mid Mid (pH 6-8) 0.59 4.2 -126.93 4 5 2 54 295.427 7

Activity (Go SEA)

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