UCSF

ZINC34691371

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 32 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) 1.10 5.6 -47.26 2 8 1 76 450.6 11
Lo Low (pH 4.5-6) 1.10 7.92 -118.16 3 8 2 77 451.608 11

Activity (Go SEA)

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