UCSF

ZINC31978066

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 2.22 4.16 -47.19 3 4 1 49 305.442 5
Mid Mid (pH 6-8) 2.22 6.46 -89.86 4 4 2 51 306.45 5

Activity (Go SEA)

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