UCSF

ZINC36204031

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 13 No

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) 3.44 7.66 -8.86 0 1 0 17 196.677 4
Hi High (pH 8-9.5) 2.91 6.49 -40.66 0 1 -1 23 195.669 3

Activity (Go SEA)

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