UCSF

ZINC31909345

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 2.07 8.04 -43.49 3 4 1 48 267.356 3
Mid Mid (pH 6-8) 2.07 5.5 -11.94 2 4 0 47 266.348 3
Lo Low (pH 4.5-6) 2.07 8.46 -88.98 4 4 2 49 268.364 3

Activity (Go SEA)

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