UCSF

ZINC19496378

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.65 4.06 -36.39 1 5 0 56 289.445 5
Mid Mid (pH 6-8) 1.65 2.79 -50.73 2 5 1 57 290.453 5
Mid Mid (pH 6-8) 1.65 4.47 -44.24 2 5 1 54 290.453 5

Activity (Go SEA)

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