UCSF

ZINC36984035

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 2.33 5.02 -6.39 0 3 0 24 331.176 4
Lo Low (pH 4.5-6) 2.33 7.09 -45.97 1 3 1 25 332.184 4

Activity (Go SEA)

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