UCSF

ZINC08695195

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) 5.60 12.77 -48.97 2 7 1 81 509.667 15
Mid Mid (pH 6-8) 5.01 13.49 -57.3 1 7 1 77 509.667 15

Activity (Go SEA)

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