UCSF

ZINC36276660

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 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) 2.95 6.93 -48.13 2 4 1 37 352.3 3
Lo Low (pH 4.5-6) 2.95 7.38 -81.44 3 4 2 38 353.308 3

Activity (Go SEA)

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