UCSF

ZINC17044060

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 19 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) 0.88 1.18 -41.67 0 6 -1 84 259.241 2
Mid Mid (pH 6-8) 0.42 2.95 -9.46 1 6 0 81 260.249 2
Mid Mid (pH 6-8) 0.88 0.43 -43.09 0 6 -1 84 259.241 2

Activity (Go SEA)

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