UCSF

ZINC08694959

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2007 32 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) 1.76 5.36 -61.87 3 8 1 101 459.544 8
Mid Mid (pH 6-8) 1.18 6.17 -73.39 2 8 1 98 459.544 8

Activity (Go SEA)

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