UCSF

ZINC19667821

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 20 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) 1.16 2.88 -43.25 3 5 1 59 283.392 8
Hi High (pH 8-9.5) 1.16 4.39 -31.84 3 5 1 58 283.392 8
Mid Mid (pH 6-8) 1.16 4.98 -118.75 4 5 2 60 284.4 8

Activity (Go SEA)

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