UCSF

ZINC43248640

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) 2.51 5.88 -24.67 3 3 1 40 285.477 8
Hi High (pH 8-9.5) 2.51 4.48 -2.04 2 3 0 38 284.469 8
Mid Mid (pH 6-8) 2.51 5.22 -33.16 3 3 1 40 285.477 8
Mid Mid (pH 6-8) 2.51 6.17 -110.01 4 3 2 41 286.485 8

Activity (Go SEA)

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