UCSF

ZINC25927345

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 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) 1.66 3.4 -11.74 1 4 0 45 277.393 6
Mid Mid (pH 6-8) 1.66 5.72 -43.09 2 4 1 46 278.401 6

Activity (Go SEA)

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