UCSF

ZINC20911448

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.95 1.74 -61.06 4 8 1 106 398.487 9
Mid Mid (pH 6-8) 0.95 1.68 -59.32 4 8 1 106 398.487 9
Mid Mid (pH 6-8) 0.95 -0.64 -19.67 3 8 0 105 397.479 9

Activity (Go SEA)

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