UCSF

ZINC36158830

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 29 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) 2.45 6.49 -16.75 2 6 0 78 413.543 9
Mid Mid (pH 6-8) 2.45 8.73 -56.53 3 6 1 80 414.551 9

Activity (Go SEA)

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