UCSF

ZINC55668815

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2010 25 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) 1.91 9.07 -47.11 1 6 1 64 342.419 5
Mid Mid (pH 6-8) 1.91 6.87 -12.3 0 6 0 63 341.411 5

Activity (Go SEA)

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