UCSF

ZINC20873535

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 24 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) 1.25 1.96 -43.97 5 6 1 87 358.89 11
Mid Mid (pH 6-8) 1.25 3.47 -111.82 6 6 2 92 359.898 11
Lo Low (pH 4.5-6) 1.25 2.02 -40.69 5 6 1 87 358.89 11

Activity (Go SEA)

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