UCSF

ZINC21793348

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 Yes

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) 4.85 5.96 -33.57 1 3 -1 44 331.606 4
Mid Mid (pH 6-8) 4.85 5.3 -6.4 2 3 0 41 332.614 4

Activity (Go SEA)

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