UCSF

ZINC08846556

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 33 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) 5.08 -1.24 -14.64 1 5 0 71 444.575 8
Mid Mid (pH 6-8) 5.66 0.62 -37.77 3 5 1 76 445.583 7

Activity (Go SEA)

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