UCSF

ZINC33763485

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 36 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) 3.86 10.01 -62.73 1 8 -1 116 500.556 6
Lo Low (pH 4.5-6) 3.86 8.71 -26.69 2 8 0 113 501.564 6

Activity (Go SEA)

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