UCSF

ZINC44845260

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 19 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) 0.87 5.98 -8.02 2 4 0 59 279.409 7
Lo Low (pH 4.5-6) 0.87 6.44 -37.6 3 4 1 60 280.417 7

Activity (Go SEA)

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