UCSF

ZINC36239009

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 28 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) 4.03 11.25 -14.49 1 5 0 56 377.488 9
Lo Low (pH 4.5-6) 4.03 11.68 -37.45 2 5 1 57 378.496 9

Activity (Go SEA)

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