UCSF

ZINC19677881

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 17 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) 0.25 3.32 -49.64 2 4 1 40 238.355 2
Mid Mid (pH 6-8) 0.25 4.1 -44.97 2 4 1 37 238.355 2
Mid Mid (pH 6-8) 0.25 1.89 -7.79 1 4 0 36 237.347 2
Lo Low (pH 4.5-6) 0.25 5.53 -116.62 3 4 2 41 239.363 2

Activity (Go SEA)

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