UCSF

ZINC31910100

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 3.35 6.87 -9.47 2 4 0 47 284.407 7
Mid Mid (pH 6-8) 3.35 9.1 -38.76 3 4 1 48 285.415 7
Mid Mid (pH 6-8) 3.35 7.32 -24.82 3 4 1 48 285.415 7
Lo Low (pH 4.5-6) 3.35 9.55 -84.83 4 4 2 49 286.423 7

Activity (Go SEA)

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