UCSF

ZINC31785637

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 32 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) 4.14 12.22 -12.69 0 5 0 41 454.977 6
Mid Mid (pH 6-8) 4.14 14.5 -50.54 1 5 1 43 455.985 6

Activity (Go SEA)

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