UCSF

ZINC33814123

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 39 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) 4.13 15.21 -65.69 1 8 0 91 524.621 10
Lo Low (pH 4.5-6) 4.13 14.08 -56.69 2 8 1 89 525.629 10

Activity (Go SEA)

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