UCSF

ZINC41514265

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.11 10.98 -43.43 2 5 1 64 408.518 5
Mid Mid (pH 6-8) 5.11 11.87 -29.23 1 5 0 67 407.51 5

Activity (Go SEA)

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