UCSF

ZINC33744067

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 35 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) 1.77 9.92 -76.3 1 9 0 105 483.565 12
Lo Low (pH 4.5-6) 1.77 8.63 -64.84 2 9 1 103 484.573 12

Activity (Go SEA)

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