UCSF

ZINC34691700

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 34 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) 2.56 6.66 -16.97 1 8 0 81 468.55 10
Lo Low (pH 4.5-6) 2.56 8.97 -53.65 2 8 1 82 469.558 10

Activity (Go SEA)

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