UCSF

ZINC19726916

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) 1.03 4.64 -85.59 3 4 2 28 276.428 3
Hi High (pH 8-9.5) 1.03 0.76 -3.32 1 4 0 22 274.412 3
Mid Mid (pH 6-8) 1.03 2.17 -40.55 2 4 1 26 275.42 3

Activity (Go SEA)

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