UCSF

ZINC39849373

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 34 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) 2.65 11.35 -77.02 1 8 0 96 468.55 12
Lo Low (pH 4.5-6) 2.65 10.47 -48.95 2 8 1 94 469.558 12

Activity (Go SEA)

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