UCSF

ZINC33814026

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 37 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) 4.65 12.17 -45.9 0 8 -1 100 513.53 5
Lo Low (pH 4.5-6) 4.65 11.04 -21.72 1 8 0 97 514.538 5

Activity (Go SEA)

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