UCSF

ZINC16688895

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 33 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) 3.31 7.19 -56.63 2 8 1 105 494.659 8
Mid Mid (pH 6-8) 3.31 4.4 -20.15 1 8 0 104 493.651 8

Activity (Go SEA)

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