UCSF

ZINC31915677

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 16 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) 3.11 8.17 -10.68 0 3 0 41 213.284 2
Mid Mid (pH 6-8) 3.11 8.61 -30.2 1 3 1 42 214.292 2

Activity (Go SEA)

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