UCSF

ZINC34953295

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 23 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) 4.08 7 -7.87 2 5 0 71 370.623 4
Hi High (pH 8-9.5) 4.26 6.24 -43.91 1 5 -1 77 369.615 4

Activity (Go SEA)

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