UCSF

ZINC08695237

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2007 37 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.44 15 -53.21 2 6 1 71 507.695 15
Mid Mid (pH 6-8) 5.85 15.69 -61.94 1 6 1 68 507.695 15

Activity (Go SEA)

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