UCSF

ZINC19791966

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 35 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) 3.94 11.28 -50.38 3 8 1 72 479.649 6
Mid Mid (pH 6-8) 3.94 9.07 -15.67 2 8 0 71 478.641 6

Activity (Go SEA)

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