UCSF

ZINC36360589

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.92 8.33 -29.49 2 6 1 67 414.485 4
Ref Reference (pH 7) 3.27 9.69 -14.91 1 6 0 62 413.477 4

Activity (Go SEA)

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