UCSF

ZINC31933226

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 3.66 10.47 -43.66 1 4 1 31 316.812 4
Mid Mid (pH 6-8) 3.66 8.89 -9.71 0 4 0 30 315.804 4

Activity (Go SEA)

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