UCSF

ZINC26329426

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 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) 2.88 9.97 -50.31 2 4 1 57 342.85 7
Mid Mid (pH 6-8) 2.88 7.65 -10.64 1 4 0 56 341.842 7

Activity (Go SEA)

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