UCSF

ZINC63281740

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2011 21 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) 2.46 1.36 -6.55 1 5 0 51 307.268 7
Lo Low (pH 4.5-6) 2.46 3.29 -38.98 2 5 1 52 308.276 7

Activity (Go SEA)

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