UCSF

ZINC08695298

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2007 39 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) 5.33 11.3 -48.75 3 8 1 101 539.693 16
Mid Mid (pH 6-8) 4.74 11.95 -58.15 2 8 1 98 539.693 16

Activity (Go SEA)

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