UCSF

ZINC43253938

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 1.71 3.25 -118.69 5 4 2 62 308.875 8
Hi High (pH 8-9.5) 1.71 0.7 -4.21 3 4 0 59 306.859 8
Mid Mid (pH 6-8) 1.71 2.85 -36.39 4 4 1 60 307.867 8
Mid Mid (pH 6-8) 1.71 1.01 -47.51 4 4 1 60 307.867 8

Activity (Go SEA)

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