UCSF

ZINC31350716

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 22 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) 2.48 3.36 -7.72 2 4 0 56 304.434 7
Mid Mid (pH 6-8) 2.48 5.63 -45.55 3 4 1 57 305.442 7

Activity (Go SEA)

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