UCSF

ZINC36197043

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 26 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 10.62 -45.72 2 5 1 50 373.908 6
Lo Low (pH 4.5-6) 2.95 11.1 -87 3 5 2 51 374.916 6

Activity (Go SEA)

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