UCSF

ZINC42944688

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 18 No

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) 2.73 7.87 -125.8 4 2 2 32 286.872 4
Mid Mid (pH 6-8) 2.73 6.58 -47.95 3 2 1 31 285.864 4
Mid Mid (pH 6-8) 2.73 7.56 -38.98 3 2 1 30 285.864 4

Activity (Go SEA)

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